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
-7.9551 1.8188 1.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6822 0.5147 1.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1888 -0.4878 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6942 -0.7394 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1494 -1.7243 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6803 -1.9637 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9064 -0.6917 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4084 -0.9270 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7589 0.4127 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2577 0.4015 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3682 -0.5087 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9114 -0.6052 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4877 0.7244 -0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9282 0.9926 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8787 0.2780 -1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9940 -1.1613 -1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5130 -1.5392 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9180 -1.1536 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2849 0.2052 0.2777 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8579 1.1425 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1071 0.7626 2.2078 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2694 2.5228 1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0276 3.0758 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6894 2.6407 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1822 1.9423 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4276 1.9391 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4203 0.0706 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7771 0.5952 1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7683 -1.4080 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3550 -0.0174 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2068 0.2313 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6416 -1.2180 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2338 -1.3335 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7289 -2.6693 -0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5311 -2.3669 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2457 -2.6879 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9743 -0.3422 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1855 0.0880 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2907 -1.2848 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0347 -1.7218 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1850 1.0804 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9298 0.7646 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0436 1.4651 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0340 0.1700 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2640 -0.0661 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0544 -1.5103 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1605 -1.3244 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0642 -1.0803 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9715 1.4404 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1249 1.0919 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1596 0.8183 0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1385 2.1234 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5796 0.4228 -2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8869 0.8096 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8209 -1.5570 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1590 -1.8007 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8793 -1.0964 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4247 -2.6621 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2260 -1.5983 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5147 -1.6919 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9400 0.5731 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8991 3.1953 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4292 2.4911 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2772 4.1344 0.3152 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