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
6.7860 1.4509 3.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5356 1.3786 1.8849 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4156 -0.0407 1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2896 -0.7948 2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2166 -2.1836 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0532 -2.4190 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8622 -1.9476 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6950 -0.4868 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 -0.0849 -1.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 -0.6458 -0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0002 -0.2045 -1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 -0.7195 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -0.2764 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7164 1.1814 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6814 1.8817 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1125 1.6308 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7152 0.3183 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2159 0.4980 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6542 1.6154 -0.2519 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0664 -0.6056 -0.7726 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5287 -0.4908 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9235 0.5276 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5447 1.6555 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8749 1.6680 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5051 2.2675 3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2271 0.5168 3.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6882 2.0107 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4424 1.8066 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3764 -0.5622 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3391 -0.0290 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6544 -0.9641 3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3569 -0.2730 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4167 -2.7677 2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1587 -2.7394 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2444 -3.5337 -0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9831 -1.9446 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9617 -2.4522 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8769 -2.4314 -1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5505 -0.0267 -1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6151 0.0440 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5221 -0.4458 -2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3988 1.0095 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1986 -1.7397 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0407 -0.2187 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0063 0.8939 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1190 -0.6455 -2.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1101 -0.5010 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1947 -1.8436 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7739 -0.6176 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 -0.8168 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0270 1.3415 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6952 1.6800 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 1.8725 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 3.0110 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4308 1.8865 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6791 2.3812 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5200 -0.0831 -1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5123 -0.4835 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6165 -1.5172 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7865 -0.1513 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9643 -1.4709 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6952 0.3441 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8166 2.3741 -2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8100 1.9125 -0.3315 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