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
8.8167 -1.5867 -1.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0784 -0.4388 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6755 -0.4148 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9099 0.7158 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8823 0.5309 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1077 1.6428 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6662 1.7193 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9895 0.4302 1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 0.4864 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7543 1.5546 1.5603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6548 1.6481 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6413 0.6199 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 -0.7744 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6194 -1.6470 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8919 -1.1928 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8483 -1.1575 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1501 -0.6679 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2636 -1.5610 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5534 -1.1524 -1.4904 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1380 0.1079 -1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4560 0.8457 -0.4293 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4019 0.5761 -1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1904 -0.1140 -2.4909 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2823 -2.5363 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8380 -1.6010 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9632 -1.3585 -2.5249 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6275 0.4943 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1078 -0.6780 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1649 -1.3789 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6326 -0.3271 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4211 1.6567 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 0.7903 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9219 0.6127 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4425 -0.4260 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5671 2.6295 1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0993 1.4149 2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2215 2.5973 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5759 1.9399 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4554 -0.3908 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0098 0.1454 2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 -0.5309 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6168 0.7866 -0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2545 2.5655 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7641 1.4073 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0852 2.6639 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6195 1.8039 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 0.9660 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7590 0.6182 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0040 -0.9302 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6301 -1.1913 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 -1.6056 2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 -2.6886 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6416 -2.0102 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2599 -0.2546 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7014 -2.1897 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0622 -0.4628 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2531 0.3785 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1194 -0.6699 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3969 -1.6768 0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0490 -2.5793 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0891 -1.7892 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7658 1.5553 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8604 -1.0953 -2.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1261 0.2217 -2.8624 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