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
-8.1719 -0.9158 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0467 0.5474 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9187 1.2682 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5136 0.9904 0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1048 -0.3992 0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7244 -0.8347 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0506 -0.8147 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8812 0.5260 -1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0852 0.3632 -2.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7520 -0.2047 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3535 0.4447 -1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2406 0.7012 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5362 1.3243 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7494 0.4273 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6259 -0.8718 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7122 -1.8358 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1121 -1.5880 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8753 -0.5497 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2810 -0.5021 0.6312 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1121 0.4666 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6443 1.2293 -0.9032 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5099 0.6070 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2921 1.4957 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9524 -1.5119 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2785 -1.1930 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6527 -1.3507 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0916 0.7595 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9956 1.0075 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9944 1.1222 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0503 2.4028 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7917 1.6923 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5114 1.3552 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7796 -1.1144 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3597 -0.6727 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6841 -1.9196 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0858 -0.3084 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 -1.2244 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4855 -1.5566 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9196 0.8902 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5878 1.3204 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7632 -0.2926 -3.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1159 1.3369 -3.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3530 -0.3426 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7720 -1.2890 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5431 1.4402 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3289 -0.1137 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4966 1.5500 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0965 -0.1194 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7089 2.2403 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4605 1.6193 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0484 0.3334 -0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5591 1.0670 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3992 -0.7658 1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6834 -1.3625 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4592 -2.8520 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6551 -2.2036 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7163 -2.5691 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1773 -1.3303 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4842 0.4397 0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0171 -0.9197 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6309 -1.1343 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9165 -0.0306 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9085 2.1408 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3165 1.5840 0.1363 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