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
-6.9636 2.2427 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4732 1.8376 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8691 0.7512 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4697 0.8092 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4438 0.8540 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5789 -0.4234 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6165 -0.4352 1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1878 -0.3391 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2704 -0.3867 2.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 -0.2922 2.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9790 -1.3209 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6120 -1.5623 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 -2.4849 -0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8970 -2.2167 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2952 -1.1199 -1.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0393 0.2707 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7713 0.8072 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2505 0.8310 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7382 0.5323 -1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1331 1.1984 0.3988 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5700 1.2413 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0077 -0.1220 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6345 -0.3313 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8232 2.6043 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2748 3.1128 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5047 1.4464 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5639 2.7742 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5728 1.5679 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0214 -0.2451 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5123 0.6121 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 1.5603 -2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2501 -0.1718 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5398 1.6944 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4267 0.8170 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5931 -0.5530 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3750 -1.3191 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7371 -1.3992 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7956 0.3983 2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0765 0.6860 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1597 -1.0749 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 -1.3505 2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 0.4656 2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5889 -0.2011 3.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4566 0.7560 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 -1.0667 1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8082 -2.2817 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2657 -0.6550 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3927 -2.1888 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4085 -3.5346 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9721 -2.6695 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3595 -3.1738 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -2.0990 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9414 -1.3348 -3.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4303 -1.2262 -2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9570 0.5034 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 0.9461 -2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4057 1.8577 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5690 0.1792 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7249 1.4507 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8363 1.9795 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0305 1.5265 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8079 -0.9420 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9553 -1.3163 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8340 0.4921 -1.9280 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