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
-9.2583 -0.1361 1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7524 -0.0553 1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6333 0.1779 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3132 0.3304 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2742 -0.6770 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6810 -1.2136 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5744 -2.2204 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4367 -1.6256 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 -0.4620 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6691 0.1477 -0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4206 -0.8470 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5739 -0.2445 -1.9858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2240 0.8978 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 0.5466 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8506 -0.5285 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4249 -0.8977 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0635 0.2448 1.9191 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1895 0.8286 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5714 0.3289 0.0924 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8894 1.9827 1.6443 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9948 2.5285 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0298 1.4917 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4153 1.0502 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3438 -0.6161 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7089 0.8783 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7384 -0.7206 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3526 0.7825 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3636 -1.0079 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1667 1.1786 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3196 -0.5134 -1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5054 0.6827 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9042 1.3286 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6567 -1.5713 -1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4012 -0.2328 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4163 -1.8072 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2761 -0.3944 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1652 -2.5515 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9570 -3.1240 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6304 -2.4053 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6890 -1.3094 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4248 -0.7519 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5394 0.3575 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2276 1.0242 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0268 0.5545 -1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0111 -1.6470 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -1.3279 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 -1.0423 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 0.1469 -2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5791 1.7965 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0996 1.2065 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3177 1.4642 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0288 0.2648 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3769 -1.4670 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5946 -0.2360 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1153 -1.7832 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5966 -1.2741 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 -0.1073 2.9124 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2773 1.0284 2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5842 2.4101 2.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3596 3.4538 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5915 2.8404 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4882 1.0774 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1641 0.2970 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9514 1.4698 -1.3115 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