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
-9.4101 0.1562 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0267 0.6984 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7391 0.0789 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5570 0.4205 -2.8677 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1792 0.2160 -2.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7054 0.9532 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2258 0.6895 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9444 -0.7328 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.1919 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7388 -0.6563 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2739 0.7248 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 1.1775 1.9125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8534 0.4441 2.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7297 0.5512 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0618 -0.1934 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8183 0.3763 2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1330 -0.2930 2.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0123 -0.1139 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6907 0.5889 0.3414 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2829 -0.7755 1.3138 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1887 -0.6360 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4953 -1.1520 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3033 -0.3381 -2.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2098 0.5396 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3664 -0.9351 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5498 0.5832 0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3712 0.3397 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1470 1.7793 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6469 0.3315 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8414 -1.0488 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6325 -0.1817 -3.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6237 1.4818 -3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9334 -0.8901 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5056 0.5474 -3.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2898 0.7368 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7134 2.0528 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0854 1.2484 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5324 1.1415 -1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3125 -1.3930 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6292 -1.1043 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6621 -2.3415 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9965 -1.1437 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3539 -0.8268 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0800 -1.4131 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 0.8089 -0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0460 1.4596 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0302 1.1092 2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8284 2.2541 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 -0.5739 2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3873 1.0166 2.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 1.6018 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 0.1225 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5657 -0.1207 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8606 -1.2797 1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2254 0.2711 3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9173 1.4766 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6417 0.1034 3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0191 -1.4036 2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5708 -1.3667 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4487 0.4249 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1051 -1.2286 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1579 -2.1620 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8108 -0.6728 -2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6410 0.7001 -2.0137 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