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
-9.2484 0.5014 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0625 -0.0375 -0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5625 -0.3010 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1209 -1.3135 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6471 -1.6183 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7889 -0.4178 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3170 -0.7242 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9766 -1.2793 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5114 -1.5993 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.3796 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7910 -0.8400 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 0.2831 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7094 0.9031 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 2.0231 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1467 1.5661 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0531 2.7361 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4926 2.3662 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8986 1.3967 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1485 1.0432 2.1014 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2241 0.8601 1.0425 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6648 -0.0887 2.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8078 -1.2895 2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3461 -2.4758 1.7807 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4086 -0.3609 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1824 1.1023 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3755 1.1279 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4290 0.6730 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6082 -0.9825 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3100 -0.6456 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0841 0.6920 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4105 -1.0057 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6601 -2.2576 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4182 -2.3956 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4959 -2.1200 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0448 0.0375 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0906 0.3356 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7135 0.1486 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1175 -1.4973 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5244 -2.2429 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2854 -0.6114 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -2.3573 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3134 -2.0033 -2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7512 -0.0740 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8292 0.4143 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9608 -1.3226 -2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.6130 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8318 -0.0839 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6073 1.0291 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 1.2687 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9471 0.1445 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4736 2.8323 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6569 2.4594 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3086 1.1940 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3264 0.7706 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7849 3.4811 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8900 3.2838 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6450 1.9050 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1564 3.2767 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8635 1.1328 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5288 0.3861 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7296 -0.3785 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7299 -1.1889 2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7006 -3.3392 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4055 -2.5297 1.5776 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