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
-7.6884 1.6226 1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3316 0.6231 1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3185 -0.2793 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3653 0.5422 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3736 -0.3454 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5221 -1.1596 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6976 -0.3214 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7578 0.6033 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8018 -0.1870 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9166 0.8385 -1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0433 0.1059 -2.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9503 -0.8550 -1.7161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7816 -0.1285 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7047 -1.0283 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6941 -1.7524 -0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5940 -0.8481 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4351 0.0726 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3245 -0.7058 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1265 0.2169 0.9523 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0735 -0.2115 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2300 -1.4414 2.0945 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8336 0.7753 2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7168 0.4060 3.5426 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7275 1.2721 2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3778 1.8064 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4778 2.5830 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9922 -0.0380 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9063 1.1315 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9076 -0.9501 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7863 -0.9190 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9566 1.0417 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9046 1.3576 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7845 0.2826 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9494 -1.0613 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1441 -1.8500 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8509 -1.7838 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3614 0.2635 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1238 -1.0038 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1257 1.1013 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2910 1.3918 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2859 -0.7712 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 -0.8243 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5112 1.5146 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3712 1.4687 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7247 0.8771 -2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 -0.4144 -3.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3147 -1.6340 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 -1.3570 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 0.3189 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3172 0.7173 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1831 -1.7589 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2955 -0.3811 0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3168 -2.3890 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1814 -2.5004 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0665 -0.2270 -2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2716 -1.5179 -2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7989 0.8061 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0724 0.6492 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0240 -1.3472 -0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7737 -1.4003 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9752 1.2459 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6650 1.8215 2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8846 -0.6319 3.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2716 1.1422 4.0820 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