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
8.7209 -1.2860 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7039 0.0902 1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0965 1.0514 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6925 0.6845 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7627 0.6674 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3631 0.3016 1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 1.2713 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3520 0.8865 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2646 -0.4691 -0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8154 -0.8298 -1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2370 0.1380 -2.2853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -0.2340 -2.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0503 -0.2312 -1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4692 -0.5919 -1.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3382 -0.6147 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3842 0.7092 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2590 0.7165 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6719 0.4204 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1082 0.2468 -0.1533 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6611 0.3101 2.0547 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.0320 0.0204 1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0438 -1.2838 1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4954 -1.3430 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6841 -1.8143 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7341 -1.1649 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8432 -1.8714 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7456 0.4363 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1534 0.0895 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1870 2.1070 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7154 0.9803 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7278 -0.3251 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3698 1.3790 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1439 -0.1008 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7534 1.6341 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3960 -0.7007 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7497 0.1887 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7223 2.2713 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 1.3358 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 1.6505 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6602 0.9503 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 -1.2539 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 -0.5889 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2633 -0.7821 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -1.8771 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8789 0.1921 -3.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2153 1.1790 -1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 0.4133 -3.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1440 -1.3133 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 -0.8912 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0821 0.8153 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8446 0.1549 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4588 -1.6041 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8489 -1.3787 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3379 -1.0453 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3415 0.9316 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6090 1.5358 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1739 1.6614 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8728 -0.0934 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4209 0.4329 3.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4640 0.8218 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6574 -0.0812 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6884 -2.1661 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5328 -2.2740 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8585 -0.4653 -0.7544 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