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
   -9.9429    0.0886   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2789    0.9400    0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0176    0.2645    1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0949    0.0902    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7896   -0.5703    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0676    0.2702    1.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7527   -0.2969    1.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8246   -0.4239    0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123   -0.9913    1.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810   -1.1392   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402    0.1917   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5971    0.1336   -1.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636   -0.4061   -1.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    0.4632   -0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9852    0.0389   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8954    0.0380   -1.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3131   -0.3691   -0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240    0.5600    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717    0.2472    0.4298 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    0.2076   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0626    0.4667   -1.6922 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984   -0.1104   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6479   -0.1307   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7235   -0.9721   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0193    0.2866   -0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5408    0.3240   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9852    1.8979    0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9944    1.0605    1.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6110    0.9694    2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719   -0.7141    1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8802    1.1218   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6271   -0.5063   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2282   -0.7118   -0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0299   -1.5760    0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7293    0.2726    2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9400    1.3005    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    0.4414    2.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8326   -1.2392    2.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642   -1.0628   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818    0.6443    0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.3538    1.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667   -1.9782    1.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0532   -1.8623   -0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675   -1.5730    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    0.9186    0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296    0.5214   -1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228    1.1973   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -0.4090   -2.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -1.4724   -1.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175   -0.3990   -2.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754    1.4932   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115    0.5514    0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900   -0.9791    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984    0.7684    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -0.6726   -1.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    1.0484   -1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705   -0.3240   -1.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -1.4152   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3020    0.6022    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202    1.5829   -0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5041    0.0315    1.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527   -0.3362    0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4199    0.0924   -2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6840   -0.3699   -0.7964 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