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
-7.2675 1.1379 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8618 -0.1596 2.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7740 0.0372 0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3676 -1.2400 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2706 -1.0713 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3693 -0.0672 -1.9232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9188 -0.0817 -1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4072 0.0581 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8575 0.0806 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3093 -1.1789 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2383 -1.1955 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 -0.0663 -1.6883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1406 0.1613 -1.9612 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1423 0.3471 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3825 -0.8568 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2397 -0.8404 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6489 -0.4249 1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8810 1.0050 0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3034 1.3449 0.7485 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1589 0.7373 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7149 -0.1181 -1.0462 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5720 1.0949 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1500 1.9475 0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8564 1.2851 3.9662 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8964 1.9647 2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3896 1.1903 2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6513 -0.9138 2.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9054 -0.5288 2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7977 0.3436 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1112 0.8793 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3269 -1.9035 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5727 -1.7868 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3260 -0.8349 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1113 -2.1020 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7228 0.9766 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5575 -0.0128 -3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5282 -1.0367 -2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5169 0.7882 -2.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7857 0.9826 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6975 -0.8053 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5446 0.2116 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6114 1.0000 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7002 -2.0891 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 -1.2162 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5791 -2.1820 -1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3951 -1.0280 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1607 -0.1332 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2882 0.9026 -1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4941 -0.6655 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1895 1.0630 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9920 1.2707 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1222 0.5597 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9514 -1.5751 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4696 -1.4969 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1471 -1.8963 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6686 -0.2444 1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1180 -0.7352 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1592 -1.1050 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4832 1.5584 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3367 1.4365 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6555 2.0369 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2060 0.5998 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6016 2.4596 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2177 2.1310 0.4859 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