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
-7.7977 1.4025 1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7794 -0.0779 1.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5580 -0.7496 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2861 -0.2803 1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1113 -0.9833 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0104 -0.7495 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8822 0.7121 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6831 1.2946 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4287 0.5910 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2005 1.1613 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0427 0.4891 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0657 -0.9489 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 -1.7733 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7084 -1.9723 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1854 -0.8325 -2.6567 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3263 -0.0696 -2.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5188 -0.9645 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6337 -0.1865 -1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2584 0.3733 0.1195 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2488 1.1268 0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4014 1.2812 0.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0190 1.7463 2.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8725 1.6579 2.7361 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4135 1.7269 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8375 1.9053 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3333 1.8777 2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9534 -0.4171 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6538 -0.4766 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5432 -0.5978 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6764 -1.8380 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1333 0.8107 1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2677 -0.5373 2.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1800 -0.6576 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1789 -2.0859 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1303 -1.3043 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9000 -1.1969 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7867 0.8639 -1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8118 1.2607 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6162 2.3859 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 1.2341 1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3859 0.6985 -1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 -0.4894 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0827 2.2529 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2238 1.1303 1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 0.7555 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8980 1.0146 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9201 -1.0540 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1134 -1.4339 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9820 -2.8260 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1047 -1.5145 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8870 -2.5171 -2.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5211 -2.7753 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5668 -1.2103 -3.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3967 -0.1406 -2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6450 0.6952 -2.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9427 0.3926 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3070 -1.8568 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8674 -1.2964 -2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9584 0.6625 -1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5185 -0.8392 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3369 0.2524 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8040 2.3189 2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0408 1.1123 2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7027 2.1184 3.6965 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