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
-8.1189 -1.5181 1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1029 -0.2538 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7396 -0.0286 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4100 -1.1940 -0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0784 -1.0823 -1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9494 0.1274 -2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5970 0.1804 -3.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4681 0.2447 -2.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5597 1.4637 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 1.5032 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0619 1.5471 -0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 1.6039 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0386 0.4329 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1453 0.5024 2.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5240 0.5484 1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5649 0.6131 2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9733 0.6691 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3724 -0.5147 1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6324 -1.4954 1.0757 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7036 -0.5885 0.7105 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0894 -1.7444 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4479 -1.6674 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2717 -0.6746 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9647 -1.4723 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1990 -2.4107 0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1692 -1.5987 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3774 0.6004 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8717 -0.3262 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7492 0.9365 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0168 0.0542 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4123 -2.1026 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2367 -1.3228 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9489 -1.9795 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2791 -1.1134 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6966 0.0276 -3.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1374 1.0349 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4132 -0.6969 -3.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5424 1.0855 -3.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3170 -0.6599 -1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 0.3847 -2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5225 2.4072 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4960 1.4865 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5166 2.3665 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4702 0.5725 0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0454 2.4437 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0695 0.6802 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9794 1.7503 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8830 2.5226 0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -0.5432 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 0.4813 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0091 1.3965 2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0509 -0.3799 2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6549 -0.3756 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6100 1.3885 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4148 -0.2966 3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3602 1.4666 3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1601 1.5936 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6181 0.7441 2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2804 0.2464 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4068 -1.8555 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8935 -2.6922 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8341 -2.5109 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0169 0.1992 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2960 -0.6733 -0.7938 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