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
-7.6198 3.7293 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3367 2.9018 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3916 1.9424 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1244 1.1057 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9477 0.3046 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6738 -0.4891 0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7088 -1.4376 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4504 -2.2835 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 -1.4395 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0337 -2.2451 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3228 -3.0892 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4859 -2.3299 1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6053 -1.3234 1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9210 -2.0031 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0621 -0.9675 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3077 -1.7439 0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5742 -0.9851 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6588 0.1133 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7854 1.2222 0.1196 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7695 2.2909 -0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5404 2.2003 -1.8148 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8983 3.4429 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9068 4.4123 -1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4013 4.7310 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8543 3.8819 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4113 3.2416 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2492 2.3948 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4826 3.5753 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4956 2.5220 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2789 1.2751 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2323 0.4690 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2336 1.7342 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8162 1.0348 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8365 -0.3458 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5074 -1.0809 1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8576 0.2867 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9069 -0.9401 -1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5499 -2.1419 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3780 -2.8636 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5728 -2.9287 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1350 -0.6305 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3446 -0.9105 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0605 -2.9308 -1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8717 -1.5692 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4808 -3.8675 0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2437 -3.6708 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4251 -1.7787 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6615 -3.0777 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7156 -0.7939 2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4195 -0.5146 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1542 -2.7016 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8859 -2.5272 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0877 -0.3989 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8012 -0.3059 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1425 -2.3164 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4111 -2.5938 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4488 -1.7034 0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7332 -0.5424 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5428 -0.3126 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7206 0.4803 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1893 1.3099 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2430 3.5264 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2789 5.2880 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5564 4.3674 -2.4092 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