Monomers

N-Octadecylacrylamide

Identifiers

IUPAC name
N-octadecylprop-2-enamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
CNWVYEGPPMQTKA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
    7.1174    0.6317    3.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9848    0.2282    2.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2416    0.1328    0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1328   -0.8904    0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695   -1.0037   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321    0.2847   -0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9927    0.1221   -2.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -0.9118   -1.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847   -0.5638   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    0.7505   -1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114    0.7475   -2.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -0.2925   -2.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917   -0.0042   -1.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -1.0240   -1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6950   -0.7596   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3047    0.5889   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3351    0.9447    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4658   -0.0407    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4578    0.3266    1.3867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6491   -0.4323    1.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7644   -1.4369    0.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6567   -0.1090    2.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5958    0.9085    3.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    0.8689    3.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0600   -0.1685    4.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5630    1.5362    3.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8506    0.9204    2.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543   -0.7640    2.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8570    1.1395    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9847   -0.1264    0.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893   -1.8623    1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141   -0.5330    1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902   -1.4294   -1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5333   -1.7349   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933    0.6185    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602    1.1101   -0.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    1.1115   -2.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6955   -0.2515   -2.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3266   -1.9069   -1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3385   -0.9670   -2.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244   -1.3601   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -0.5030    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9602    1.5861   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5165    0.9877   -0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.6867   -3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311    1.7639   -2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1768   -1.3144   -2.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163   -0.1114   -3.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    1.0351   -1.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1720   -0.0554   -0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1965   -1.0174   -2.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040   -2.0181   -1.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4645   -1.5765   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1046   -0.8134    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8516    0.6568   -1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986    1.3622   -0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7623    1.9350    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8867    1.0295    1.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0946   -1.0771    0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8775   -0.0420   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2963    1.1611    1.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5305   -0.7552    2.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7427    1.5632    3.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3699    1.1183    4.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers