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
    5.8424    2.2903    2.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8214    1.1895    2.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    0.1450    1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6698   -0.7225    1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261   -0.0148    0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2299   -0.9578    0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -1.9218   -0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -2.8606   -0.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -2.1211   -1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -1.3457   -2.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -0.5820   -2.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518    0.5404   -2.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594    0.2957   -0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -0.7396   -1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528   -0.4433   -1.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866    0.8496   -1.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6876    0.7887   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4446    2.0505    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0178    1.9968    1.3343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9736    1.0214    1.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3293    0.1689    0.9302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5291    1.0097    3.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4047    0.0860    3.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4702    2.5281    1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    3.2439    2.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    2.2603    3.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8718    1.6104    2.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6053    0.6567    3.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   -0.5317    1.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0972    0.6045    0.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5216   -1.3727    2.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9197   -1.4282    0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    0.5614   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    0.7180    1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3737   -0.2976    0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906   -1.4678    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4098   -2.5738   -0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579   -1.3733   -1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569   -3.3668    0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610   -3.6027   -1.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951   -1.6035   -0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -2.8741   -1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560   -0.7081   -2.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6365   -2.1049   -3.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.3266   -3.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -0.1594   -3.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798    1.3954   -2.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744    1.0822   -2.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    0.1339   -0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7158    1.2840   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537   -0.8631   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412   -1.7541   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9842   -0.4577   -3.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0535   -1.3165   -1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3986    1.7138   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8707    1.0267   -2.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3386   -0.0994   -0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8200    0.7356    0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7127    2.8801   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1838    2.2484   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7494    2.6959    2.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2208    1.7635    3.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7151   -0.6549    2.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8182    0.0708    4.4022 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