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
8.3052 2.8220 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1983 1.3822 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8458 1.0429 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 1.3490 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3969 1.0549 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1941 -0.3654 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 -0.5584 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3584 0.2539 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9504 0.0680 1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4429 -1.2077 2.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4335 -2.4285 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3166 -2.3453 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7734 -2.0084 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4907 -1.9339 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9626 -1.5961 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6156 -1.5360 -1.7997 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0676 -1.2160 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2841 0.1146 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3300 0.8534 -0.8527 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6088 0.5747 -0.9390 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8501 1.8905 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2110 1.9185 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2688 2.8057 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3925 3.0434 -1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9640 3.4858 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7853 2.9922 -1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9621 1.1060 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3879 0.7634 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8896 -0.0642 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7023 1.6266 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8516 2.3986 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9967 0.7393 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2150 1.6865 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6554 1.3826 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8273 -0.7009 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3508 -1.0863 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6577 -1.6217 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0705 -0.3268 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 1.3552 1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0850 0.1350 2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7670 0.8226 2.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3248 0.4888 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0768 -1.4673 3.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 -1.0895 2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3312 -3.0239 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 -3.1663 2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 -1.6693 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 -3.3721 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1662 -2.8242 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -1.0695 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0428 -1.1494 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3925 -2.9075 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0483 -0.7081 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4090 -2.4329 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5184 -2.5112 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0367 -0.8177 -2.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5952 -1.9581 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5412 -1.2686 -2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4363 -0.0025 -1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9192 2.1008 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3870 2.6503 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5598 1.1894 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9665 3.5041 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7986 2.8326 2.2063 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