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
-8.1679 -0.5789 3.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8070 -0.9843 2.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6403 -0.6168 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2893 -1.0220 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1754 -0.3554 1.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8176 -0.7547 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6310 -0.3897 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7592 1.0855 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5763 1.4112 -2.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2099 0.9598 -2.4945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0897 1.5985 -1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 1.0822 -2.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 -0.3849 -2.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7464 -0.8163 -2.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8565 -0.1241 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2174 -0.5360 -2.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2777 0.1927 -1.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2756 -0.1090 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5066 -0.9574 0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1633 0.5585 0.6593 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1422 0.2448 2.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7995 0.5307 2.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0971 -0.4422 3.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1493 0.4594 3.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4351 -1.2825 4.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9395 -0.6725 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0499 -0.4302 3.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6667 -2.0579 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6914 0.4914 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4551 -1.0810 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1910 -0.8401 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2279 -2.1397 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2041 -0.7472 2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3179 0.7204 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0143 -0.2564 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 -1.8464 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2934 -0.9730 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 -0.6920 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7551 1.4812 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0310 1.6387 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7198 2.5000 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3106 0.8129 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2288 -0.1354 -2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0632 1.2471 -3.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1071 2.6938 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 1.5561 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0007 1.6270 -1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 1.4121 -3.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -0.6364 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5781 -0.9875 -2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 -0.6548 -3.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8129 -1.9364 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7766 0.9633 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6821 -0.2830 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2717 -0.3586 -3.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2969 -1.6377 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1392 1.3104 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3009 0.0227 -2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8062 1.2640 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4409 -0.8173 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8936 0.8498 2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4368 1.5502 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5222 -1.4347 3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1132 -0.2918 3.5958 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