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
9.3887 0.8368 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 2.0078 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2402 1.6010 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6572 0.3714 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4895 -0.1195 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3744 0.8700 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 1.2836 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2458 0.1229 -1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1256 -0.5859 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9688 0.2876 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0879 -0.4748 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5595 -1.6225 -0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6438 -2.4563 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 -1.5735 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9638 -2.3689 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1097 -1.4196 1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6314 -0.7925 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7727 0.1228 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1403 0.2635 1.5803 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3967 0.8093 -0.6886 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4972 1.7006 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5883 0.9239 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7781 0.8517 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2346 0.2300 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4159 1.2461 -0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2030 0.1858 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0104 2.1615 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9156 2.9159 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5207 2.4125 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6614 1.4011 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4007 0.6378 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3911 -0.4591 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1427 -1.1260 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8509 -0.3004 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5176 0.4140 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7367 1.7669 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5784 1.8335 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0122 2.0300 -0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0665 -0.6172 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 0.4111 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5696 -1.0707 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8325 -1.4189 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 0.6150 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 1.2455 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9176 0.1861 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4276 -0.8812 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2610 -2.3374 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9171 -1.2213 -1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8927 -3.3385 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2322 -2.8818 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6060 -0.7369 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2224 -1.2769 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2438 -3.2432 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5930 -2.7094 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6743 -0.5637 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9238 -1.8924 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8626 -0.1200 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0365 -1.5315 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0623 0.6702 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8213 2.1496 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1304 2.5133 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4137 0.4131 1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9677 1.3593 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5856 0.2888 0.1095 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