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
-5.9694 2.4798 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9674 1.6700 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2080 0.3187 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9531 -0.5091 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3409 -0.7794 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0978 -1.6031 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4495 -1.9020 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0373 -0.6826 -2.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0680 0.1227 -1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7872 -0.6532 -1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0908 0.2549 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 -0.4196 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -1.6151 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -2.5378 1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4086 -2.2189 1.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 -1.5435 1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5928 -0.2253 0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0239 0.2311 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9376 -0.5523 0.8786 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2964 1.4724 -0.0098 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6623 1.8845 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7039 3.2358 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3534 4.1904 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2691 2.5644 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9843 1.9826 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9270 3.4851 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9554 2.2027 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5864 1.6021 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0590 -0.2090 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5175 0.5415 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2305 0.0759 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2312 -1.4492 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0941 -1.4144 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2045 0.1190 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3961 -2.5880 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3714 -1.1103 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5624 -2.5374 -1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1241 -2.5615 -2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 -0.9603 -3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9028 -0.0263 -2.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7472 1.0269 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 0.4515 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0817 -1.5187 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3711 -1.0072 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3251 0.4983 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 1.2362 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0028 0.3705 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9261 -0.5608 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4233 -2.2699 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5554 -1.2792 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6766 -3.3981 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6144 -3.1850 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7315 -3.2189 2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0857 -1.6646 2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3613 -1.5936 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1383 -2.2474 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1713 0.5538 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1175 -0.2081 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4771 2.0816 -0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3075 1.8379 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0581 1.1538 -1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2094 3.4353 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8405 3.9983 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3965 5.1723 -0.7143 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