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
-8.2789 1.5139 -1.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8313 1.1659 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3708 -0.0377 -2.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9847 -0.4509 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8447 0.4120 -2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6615 1.7401 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6585 2.0527 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6181 1.4239 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7045 -0.0351 0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8105 -0.6865 1.8693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3546 -0.6114 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3360 0.6759 2.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 0.5400 1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4482 -0.3905 2.8973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9058 -0.5616 3.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7336 -1.0399 1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8561 -0.2538 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7929 -0.9806 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3129 -2.0664 0.0847 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1177 -0.4721 -1.5567 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0283 -1.2154 -2.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3605 -1.3853 -1.7781 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8794 -2.5868 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3990 2.6070 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9808 1.0437 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5655 1.1393 -2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2272 2.0349 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8380 0.9260 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0343 -0.8947 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5506 0.0683 -3.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0067 -0.8428 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7940 -1.4266 -2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9992 0.6390 -3.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8797 -0.1675 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5396 2.0033 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1545 2.5885 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 3.1734 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6720 1.9962 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 1.9029 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6234 1.7128 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7855 -0.2769 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5147 -0.5388 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1558 -1.7955 1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1888 -0.3271 2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0292 -1.0706 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0333 -1.3406 2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 1.5043 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2100 0.9710 3.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3227 1.5294 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9593 0.0652 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 -1.4140 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 -0.0216 3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3947 0.4215 3.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1295 -1.2674 3.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5053 -2.1107 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7973 -1.1291 2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9662 -0.0711 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3602 0.7325 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6877 0.4425 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6235 -2.2318 -2.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1587 -0.6334 -3.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9284 -0.5029 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3504 -3.5015 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8468 -2.6876 -1.0610 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