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
    8.6997   -1.0044   -2.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3449   -0.5048   -1.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5133    0.2401   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3283    0.8113    0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2497    0.0067    0.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4798   -0.9321    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492   -1.5647    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876   -0.5649    1.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993    0.2507    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7528    1.2258    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    2.0512    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226    1.2239   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    0.4359   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5441   -0.3638   -1.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6425   -1.1895   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6575   -0.3486    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3096    0.6121   -0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3248    1.4462   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3434    0.5947    0.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1686   -0.2456   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0209   -0.2642   -1.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1914   -1.1043    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3997   -1.1357    1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5772   -1.8899   -2.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1830   -0.2138   -2.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3197   -1.2475   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9893    0.2101   -2.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297   -1.3163   -1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    1.0299   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415   -0.4226    0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8778    1.6560   -0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7262    1.4493    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980    0.7301    1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891   -0.5952    1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715   -0.5765   -0.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -1.8583   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605   -2.0381    1.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506   -2.3561    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -1.1560    1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978    0.0850    2.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.8617   -0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -0.4183   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295    1.9241    1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401    0.7220    1.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733    2.5677   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737    2.8300    0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007    1.9318   -1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895    0.5151   -1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.1569    0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669   -0.2175    0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9281    0.3439   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.0524   -1.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550   -1.7803   -1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -1.8490    0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1957    0.2110    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4586   -1.0403    0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7253    0.0597   -1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680    1.3210   -1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8445    2.1325   -0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8335    2.0737    0.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4367    0.6362    1.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8090   -1.7439   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1937   -1.8118    1.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8376   -0.5401    2.3118 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