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
8.6009 -0.5053 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7771 0.4172 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4350 -0.3026 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8011 -0.5757 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -1.2672 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3011 -0.5719 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3110 -0.0382 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0232 0.5338 -1.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8793 -0.3291 -2.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2168 -1.1029 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3106 -0.3324 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 -1.3589 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4822 -0.7559 2.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5766 0.2727 1.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1203 0.8401 3.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1582 1.8728 2.9125 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 1.5631 2.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3935 1.3231 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4489 1.6833 0.0543 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4772 0.6397 0.1171 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4191 0.4171 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6060 -0.2928 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3820 0.2523 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3355 -1.5628 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4327 -0.3429 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6775 -0.3776 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2346 0.7079 -1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4982 1.3258 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9157 0.2599 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7768 -1.2896 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4994 -1.1943 1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7341 0.4075 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -2.2722 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2312 -1.6357 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1470 0.3030 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4286 -1.2128 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0062 0.9103 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7906 -0.6724 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3336 0.9255 -3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7822 1.5092 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 0.2240 -2.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1863 -1.0732 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7801 -1.5391 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7059 -2.0161 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 0.1753 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1012 0.3759 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6953 -1.9596 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 -2.1275 1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9108 -1.4964 2.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7121 -0.1787 2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2837 -0.2965 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 1.0673 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4758 -0.0301 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 1.2438 3.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6952 2.7922 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3575 2.2936 3.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8944 0.6661 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1338 2.4149 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2651 0.3414 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3649 1.4091 -1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4973 -0.1465 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8528 -1.2879 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2507 -0.2720 -3.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1429 1.2485 -3.1052 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