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
-8.9885 0.0272 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1587 -0.8913 -1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9134 -0.1550 -1.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0711 0.2897 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6564 -0.9288 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8176 -0.6122 1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5119 0.1081 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7167 -0.7767 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4532 -0.3131 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2681 0.0314 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2882 1.1140 1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0266 1.3553 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 1.8194 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8481 1.1125 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3528 -0.2776 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9998 -0.9119 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1847 -0.2335 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3331 -0.0670 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3608 -0.4791 0.7914 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4766 0.6102 -0.9749 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6670 0.8249 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3305 -0.4183 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9652 -1.6445 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8802 1.0675 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6445 -0.0666 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0614 -0.2532 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7194 -1.1273 -2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9608 -1.8495 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2799 -0.7601 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2722 0.7874 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2288 0.8624 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6709 0.9261 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6193 -1.3531 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2523 -1.7337 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3704 -0.0517 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4977 -1.5726 1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6895 1.0850 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0350 0.2580 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6745 -1.8336 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4155 -0.9405 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0957 -1.1123 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6841 0.5385 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1526 -0.8910 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 0.2414 -0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9734 0.8536 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6506 2.0680 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 2.1159 2.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2042 0.4271 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 2.8674 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9837 2.1414 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4470 1.1867 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8650 1.7007 0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1112 -0.2051 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5096 -0.9246 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2800 -1.9565 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2475 -1.0095 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5449 -0.8946 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9228 0.7290 -1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4509 0.9549 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4153 1.3801 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4677 1.4660 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2211 -0.2682 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1203 -1.9623 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5641 -2.4747 0.4066 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