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
-7.4163 2.3077 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7892 0.9244 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2500 0.1403 0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6851 -1.2498 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1765 -1.1526 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5213 -2.4904 0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 -2.2612 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 -1.5556 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 -1.3243 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2349 -2.5872 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2275 -2.6381 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0646 -2.0435 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9987 -0.5642 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3838 0.0471 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 1.5579 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6286 2.2602 -1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0142 1.9322 -1.7468 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0187 2.3562 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7803 2.9874 0.3064 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4143 2.0433 -0.9619 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4051 2.4607 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7405 2.0136 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4427 1.1936 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4625 2.1909 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9133 3.0006 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4454 2.7082 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0353 0.3999 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6768 1.0798 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3565 0.1581 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8985 0.7253 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0264 -1.8280 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1122 -1.7209 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9084 -0.5552 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8659 -0.7098 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6893 -3.1415 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7971 -3.0516 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 -1.6136 1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -3.2292 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8911 -0.5065 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7217 -2.0360 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8684 -0.6268 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6477 -0.7405 -1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6681 -3.1882 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5615 -3.2236 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5613 -2.3123 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4919 -3.7605 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1665 -2.2841 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9501 -2.5383 1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -0.2134 1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0741 -0.1304 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7042 -0.2866 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4067 -0.2807 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2327 1.8117 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9594 1.7702 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4707 3.3699 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8847 1.9584 -2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 2.4524 -2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0727 0.8426 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6856 1.5243 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3780 3.5627 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2024 2.0037 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1539 2.3469 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0476 0.8501 1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4116 0.8641 -0.0245 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