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
   -7.1422    0.8276   -2.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1850   -0.2124   -2.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2993   -0.2746   -0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3417   -1.3119   -0.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3403   -1.4895    1.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9744   -0.2503    1.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5449    0.1891    1.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    1.4182    2.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970    2.1144    1.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921    1.5371    2.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.3194    1.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965   -0.0222    2.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    1.0182    1.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578    0.5631    2.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202   -0.7036    1.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385   -0.5290    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6356   -1.8579   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7398   -1.6374   -1.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685   -0.5702   -2.1957 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0190   -0.6490   -1.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -1.6492   -1.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9133    0.4525   -2.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1706    0.3847   -1.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8180    0.3753   -3.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7639    1.2449   -2.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5976    1.6651   -3.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1523    0.0802   -2.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3641   -1.2129   -2.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0674    0.7444   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3521   -0.4791   -0.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3366   -1.0662   -0.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6534   -2.2868   -0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6015   -2.2738    1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3232   -1.8646    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6802    0.5744    1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8740   -0.5237    2.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    0.4635    0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8965   -0.6604    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5389    1.2751    3.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0863    2.1563    1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108    2.5052    0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359    3.1120    2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741    2.3546    1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    1.4737    3.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    0.4700    0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7778   -0.6240    1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536   -0.2672    3.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889   -0.9506    1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195    1.2327    0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839    1.9994    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3184    1.3819    2.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.3207    3.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0126   -1.0415    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437   -1.5519    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8379    0.2908   -0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.2893   -0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626   -2.1280    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -2.5875   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374   -1.3434   -2.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0766   -2.5769   -2.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    0.3074   -2.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5638    1.3250   -2.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8694    1.1947   -1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5279   -0.4865   -1.2185 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