Monomers

N-Allylstearamide

Identifiers

IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=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
    9.1326   -1.2788    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9761   -1.8335    1.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9537   -0.7156    1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7754   -1.2447    2.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   -0.1548    2.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2453    0.4081    1.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626   -0.6699    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152   -0.1436   -0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052    0.9368   -0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801    1.4351   -2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618    2.5248   -1.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    2.0392   -1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157    0.9169   -1.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5745    0.4053   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132    1.4625   -0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7847    0.9459    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4415   -0.1634   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6192   -0.7288    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9294   -0.2225    1.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4060   -1.7906   -0.3867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5570   -2.3315    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6560   -1.3819    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6919   -0.1554    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0974   -1.7753    0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2236   -0.2024    0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9278   -1.3589   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105   -2.1364    2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4999   -2.6628    0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726    0.0607    2.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6474   -0.2813    0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3267   -2.1388    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1299   -1.5738    3.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.6939    2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9494   -0.4740    3.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5001    1.1985    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0217    0.9199    0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3251   -1.4526    0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -1.1365    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212    0.2427   -1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5632   -1.0304   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1635    0.5231   -0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5219    1.7732   -0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    0.6243   -2.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452    1.9379   -2.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614    2.9319   -2.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699    3.3090   -1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014    2.9374   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4553    1.7583    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016    1.2366   -2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    0.1202   -1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0079   -0.4496   -1.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   -0.0211    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9987    1.7586   -1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.3414   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521    0.6208    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4468    1.7960    0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7232    0.0807   -1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7076   -1.0203   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1068   -2.1906   -1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8914   -3.2713   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2156   -2.6513    1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5611   -1.7185    1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8642    0.2632   -0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5419    0.5198    0.1669 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  2  0
 18 20  1  0
 20 21  1  0
 21 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
 20 59  1  0
 21 60  1  0
 21 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