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
-8.4267 1.1283 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0327 1.7220 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1497 1.0998 -1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9493 -0.3477 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3888 -0.9895 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0352 -0.7306 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8191 0.6503 1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4994 1.0362 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2784 1.0381 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8111 -0.2316 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5824 -1.3176 1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4577 -0.9337 2.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8004 -0.6449 1.7046 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 -1.7982 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7294 -1.4909 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7626 -0.3687 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1994 -0.2202 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3857 0.8754 -2.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7697 0.9268 -2.4220 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8439 1.1806 -1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5886 1.3806 -0.3343 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2413 1.2100 -2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1938 1.4509 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9784 1.6299 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3440 0.0424 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8803 1.3536 -1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6183 1.5878 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1008 2.8096 -0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8469 1.2039 -2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3325 1.7456 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4408 -0.6913 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9887 -0.8208 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4912 -2.1245 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1151 -0.8745 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9656 -1.3727 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2330 -1.1947 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0191 1.3329 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5737 0.9178 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3536 0.3357 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6698 2.0528 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4536 1.4812 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3445 1.7932 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2767 -0.0533 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3088 -0.5452 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 -2.2426 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5387 -1.4797 1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0983 -0.0064 2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4965 -1.7071 3.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 -0.4437 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 0.2881 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7170 -2.0881 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 -2.6277 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 -2.3948 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4789 -1.2437 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1643 -0.6171 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3806 0.5841 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7852 0.0046 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5462 -1.1621 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1345 1.8821 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7472 0.7172 -2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0150 0.7665 -3.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5169 1.0455 -3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9778 1.6252 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2307 1.4879 -1.4271 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