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
9.0533 -2.0838 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5992 -1.9581 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8031 -1.3110 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2328 0.0812 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3979 0.6698 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9426 0.7525 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6616 1.5944 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1776 1.6701 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5766 0.3447 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1118 0.4528 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3266 1.0338 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1287 1.1381 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6827 -0.2205 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1555 -0.1798 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9534 0.3802 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4607 0.3910 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1962 0.9430 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6557 1.1441 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4819 0.0076 0.7018 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5461 -0.7054 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8482 -0.3375 -1.5285 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4067 -1.8694 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1475 -2.3280 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6098 -2.2262 -1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5210 -1.2342 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3066 -3.0029 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4589 -1.4246 -1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1947 -2.9787 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7322 -1.3013 -0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8203 -1.9412 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2842 0.0316 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1885 0.6973 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5102 0.0298 2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8058 1.6587 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5181 -0.2574 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4210 1.1677 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9874 2.6434 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2447 1.2041 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1012 2.2728 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6287 2.2201 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0544 -0.1802 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6285 -0.3502 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7499 -0.6145 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 0.9644 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 2.0120 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3623 0.3812 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6925 1.6408 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1661 1.7912 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5225 -0.9045 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -0.5984 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4430 -1.2320 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2373 0.4496 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6739 1.4156 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8309 -0.2184 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6541 -0.7075 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5548 0.9361 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7201 1.9528 1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9145 0.3214 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9417 1.9045 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0116 1.6803 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1018 -0.3228 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4104 -2.3822 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1917 -1.8833 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7623 -3.2247 0.1244 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