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
7.3213 2.7546 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9784 1.6519 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0336 0.9102 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8981 0.2715 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9872 -0.4555 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8272 -1.1102 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9464 -1.8258 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 -2.4729 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9021 -3.1984 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3667 -2.2146 -2.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4049 -1.1286 -1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5398 -1.7242 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3620 -0.6286 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5255 0.1027 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1286 1.2124 1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2091 0.9752 2.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5054 0.4194 2.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2167 1.2073 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6806 2.2385 0.6808 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4723 0.8146 0.5929 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1288 1.6208 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4180 1.0490 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5235 1.7517 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1250 3.4487 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6246 3.3699 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8390 2.3811 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8669 2.0179 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3403 0.8997 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5637 0.1257 -1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6381 1.6396 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2453 -0.4843 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2669 0.9819 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5913 0.2123 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5813 -1.2504 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1850 -1.8272 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2138 -0.3414 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6088 -1.0560 -1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5684 -2.5928 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2391 -1.7799 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1793 -3.2744 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 -3.9280 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0775 -3.7389 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4039 -2.7227 -2.9381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1452 -1.7748 -2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 -0.4246 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 -0.5147 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1111 -2.4013 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 -2.3435 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 0.0920 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2626 -1.0998 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0060 -0.5743 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6478 0.5892 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3721 2.0641 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2329 1.6771 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4371 1.9162 3.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7982 0.2775 3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5631 -0.6379 1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1756 0.4629 3.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8984 -0.0569 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2965 2.6150 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4254 1.7109 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4295 0.0419 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4853 2.7388 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4719 1.3404 -0.9865 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