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
-7.6112 1.7119 3.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5381 0.3992 2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1472 0.3155 1.8473 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9763 -0.9576 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6037 -1.0689 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2929 0.0667 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 -0.0538 -1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7270 -1.2997 -1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3335 -1.3813 -2.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -0.2152 -3.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2841 -0.2591 -3.9723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3418 -0.2511 -2.9069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2537 0.9803 -2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3477 0.9854 -1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2324 -0.1993 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3073 -0.2309 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6815 -0.2741 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6833 -0.3109 1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3284 -0.3078 2.6132 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0850 -0.3507 1.1165 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1256 -0.3885 2.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1306 0.7796 3.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1727 1.5847 3.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5973 2.0056 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2189 1.5818 4.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9755 2.5283 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3174 0.3738 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7395 -0.3959 3.1646 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4505 0.2671 2.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9776 1.2249 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1502 -1.8019 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7434 -0.9875 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8492 -1.0921 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5225 -2.0094 -0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3160 1.0227 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0069 0.0383 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1558 -0.0282 -0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8263 0.8390 -1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4162 -1.3681 -2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 -2.2265 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1909 -2.3525 -2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6265 -1.3008 -1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1827 0.7691 -2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 -0.1681 -4.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4229 0.6045 -4.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3929 -1.2103 -4.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2204 -1.2001 -2.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3378 -0.2781 -3.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2555 1.9020 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2823 0.9156 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3113 0.9554 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 1.9542 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2245 -0.2652 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3784 -1.1262 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1703 -1.1726 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2394 0.6154 1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8135 -1.1936 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8749 0.5843 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3098 -0.3500 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0945 -0.4126 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0232 -1.3317 2.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2643 0.9870 3.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1915 2.4325 3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0435 1.3955 2.4854 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