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
    7.0541   -1.3762    2.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -2.0964    2.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1398   -1.3246    1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    0.0232    1.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899    1.0016    0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    1.5244   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6628    0.5217   -1.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3128   -0.1355   -1.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    0.8587   -2.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    0.2282   -2.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371   -0.4589   -1.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9020   -1.0843   -1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646   -0.0847   -1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1408    0.9563   -0.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923    1.9674   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5447    1.3654   -1.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9877    0.6637   -0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3575    0.0421   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7133   -0.6104    0.9661 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8510    0.0132    2.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6565    1.2493    2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2157   -0.7143    3.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4365   -2.0104    3.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8812   -2.0991    2.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9255   -0.7597    3.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -0.6920    1.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0145   -3.1373    1.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0963   -2.1275    3.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044   -1.2494    0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3316   -1.9549    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7603    0.4992    1.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2061   -0.1234    2.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9747    0.6820    0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9353    1.9211    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5387    2.1037   -0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8700    2.3467   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4086   -0.2310   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811    1.0554   -2.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0689   -0.6549   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007   -0.9170   -2.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6041    1.4644   -3.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0919    1.5788   -1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425   -0.4944   -3.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    1.0329   -2.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236    0.2044   -0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   -1.2754   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632   -1.6592   -0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -1.7841   -2.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9018   -0.6835   -2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121    0.3940   -2.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730    1.4992   -0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526    0.5298    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9038    2.5530   -2.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486    2.7013   -0.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6204    0.7350   -2.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2605    2.2142   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9880    1.4442    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -0.1384    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4011   -0.6256   -1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0605    0.8804   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8794   -1.6529    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3077   -0.1796    4.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3788   -2.6611    2.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6992   -2.4865    4.3780 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