Monomers
N-Octadecylacrylamide
Identifiers
IUPAC name
N-octadecylprop-2-enamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
CNWVYEGPPMQTKA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=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
7.7506 -0.6754 2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9572 0.1612 1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9740 -0.5282 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1986 0.2631 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7218 0.4416 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -0.8513 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6733 -0.8476 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 -0.1210 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 1.3439 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 2.0028 -1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8601 2.0122 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 0.7257 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 0.9550 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7291 1.5893 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7971 0.7465 -1.9572 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3869 -0.5960 -1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7990 -0.7831 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4470 -0.2617 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8887 -0.6692 1.0098 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8066 -2.0208 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2475 -2.9261 0.6338 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2531 -2.4478 2.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7808 -1.5740 3.5458 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5228 -0.3944 3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5753 -1.7426 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8364 -0.4958 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9104 0.2985 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4648 1.1482 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6830 -1.5768 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0404 -0.5203 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2774 -0.1635 -2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6097 1.2931 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6872 1.1477 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3165 0.9280 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6658 -1.5272 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1077 -1.3815 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6563 -0.5255 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3792 -1.9586 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6322 -0.5309 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5020 -0.5059 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6471 1.6626 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5002 1.8342 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3257 1.5621 -2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 3.0835 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5813 2.6712 -1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6822 2.5827 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5325 -0.0127 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9408 0.2762 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 1.6074 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2580 -0.0201 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7527 1.7028 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4587 2.6546 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7910 0.6817 -2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4383 1.3187 -2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7767 -1.1659 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0874 -1.2060 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1061 -1.8870 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3795 -0.3068 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5220 -0.7206 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6917 0.8050 -0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5359 0.0809 1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2234 -3.4976 2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3669 -1.9106 4.4929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7725 -0.5262 3.3807 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 1 0
19 20 1 0
20 21 2 0
20 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
18 59 1 0
18 60 1 0
19 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