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
10.0726 1.3744 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5787 1.4148 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0844 0.0031 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5829 -0.0462 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8046 0.5221 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3332 0.4786 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8574 -0.9130 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 -1.0140 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5238 -0.4810 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0602 -0.5716 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -1.9778 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8395 -2.1582 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6736 -1.6554 -1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1609 -1.8331 -0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5981 -1.0917 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3451 0.3988 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8200 1.0284 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2735 0.8026 1.8185 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1136 1.3505 0.7720 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5245 1.2601 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0319 0.6694 1.7780 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3791 1.8056 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9505 2.4292 -1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3815 2.1379 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3852 0.3909 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6625 1.5257 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1354 1.9215 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4123 1.9688 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5550 -0.3631 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3423 -0.6601 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3575 -1.1373 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3028 0.4314 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1384 1.5480 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9809 -0.1153 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1273 1.1123 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7823 0.9838 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1022 -1.5287 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4055 -1.3439 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1742 -2.1276 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 -0.5358 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 0.5918 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 -0.9867 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5265 -0.0814 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 0.0700 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1758 -2.5420 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2550 -2.4606 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9947 -3.2321 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 -1.5668 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4216 -0.6260 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4510 -2.2887 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3472 -2.8965 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7014 -1.4919 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7127 -1.2156 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1788 -1.5348 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2829 0.5858 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9100 0.8453 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2363 0.6615 2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5892 2.1282 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4729 -0.2421 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5331 1.3859 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6616 1.8339 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4653 1.6733 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6348 2.8086 -2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8971 2.5771 -1.4617 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