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
-8.6530 -2.3025 -2.9241 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3501 -2.2682 -2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6055 -1.4708 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3376 -1.3775 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2277 -0.7205 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9950 -0.6534 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2732 0.1424 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0648 0.2275 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9270 0.8964 1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7267 1.0110 2.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 1.6713 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9558 0.9187 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 -0.4755 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5363 -0.4287 1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7581 0.2909 1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3526 -0.3879 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 0.4189 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2071 -0.2832 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3764 0.4836 -1.7363 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4830 0.7708 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4766 0.3406 0.2983 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6298 1.5271 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7407 1.9766 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6014 -3.0331 -3.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4973 -2.5268 -2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7741 -1.2924 -3.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9751 -3.2703 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6081 -1.7493 -2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8686 -0.4227 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3792 -1.9176 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6671 -0.8603 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9885 -2.3936 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4914 0.3108 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9152 -1.3295 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1139 -0.3163 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8147 -1.7168 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4894 1.2093 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1219 -0.2587 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2900 0.8352 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7170 -0.7851 2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6402 0.2583 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 1.8929 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 -0.0001 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 1.6800 3.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0496 2.6524 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2245 1.9478 2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7601 1.5124 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1305 0.8160 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5961 -1.0691 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 -0.9680 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2172 -0.0295 2.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8238 -1.5097 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4773 1.3278 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4955 0.4099 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6403 -1.4331 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 -0.3639 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3194 1.4555 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2355 0.4300 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5053 -0.3805 -2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5956 -1.2874 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3798 0.8370 -2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4492 1.7345 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6043 2.5377 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9835 1.8058 -3.3123 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