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
-8.8604 -1.8834 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0169 -0.5724 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0402 -0.4204 -1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6049 -0.4822 -1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2729 0.6038 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7949 0.4083 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3567 1.4390 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9268 1.2726 1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0550 1.3970 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5724 1.2309 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 1.3779 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6672 1.2400 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0497 -0.1098 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5539 -0.1729 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9523 -1.5183 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4332 -1.6452 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0070 -0.5982 1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4854 -0.8409 1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1552 -0.7376 0.6333 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1457 0.4605 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5235 1.4425 0.3652 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7976 0.6210 -1.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4689 -0.3370 -2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6390 -2.6993 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7941 -2.0917 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0303 -1.8808 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0362 -0.5507 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9073 0.2956 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2242 -1.2037 -2.5418 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2078 0.5512 -2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9443 -0.3314 -2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3688 -1.4871 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8541 0.5437 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3937 1.5809 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2590 0.4821 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7356 -0.6055 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5659 2.4374 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0190 1.3532 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6001 2.0332 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8113 0.2844 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1592 2.3823 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2758 0.5480 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4307 0.2411 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2698 2.0577 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 0.6943 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0080 2.4077 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1331 1.3266 -1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0429 2.0742 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 -0.2727 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6990 -0.9097 -0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9931 -0.0134 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 0.6568 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4026 -1.6412 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6433 -2.2804 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9327 -1.5578 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6368 -2.6558 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6029 -0.7815 2.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7811 0.4226 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9727 -0.1861 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6541 -1.8840 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6788 -1.5665 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7411 1.5697 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5638 -1.3072 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9508 -0.2117 -2.9774 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