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
-7.1422 0.8276 -2.9947 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1850 -0.2124 -2.4907 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2993 -0.2746 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3417 -1.3119 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3403 -1.4895 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9744 -0.2503 1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5449 0.1891 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2675 1.4182 2.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 2.1144 1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 1.5371 2.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2140 0.3194 1.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1965 -0.0222 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2159 1.0182 1.7785 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5578 0.5631 2.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0202 -0.7036 1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1385 -0.5290 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6356 -1.8579 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7398 -1.6374 -1.9226 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6685 -0.5702 -2.1957 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0190 -0.6490 -1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4422 -1.6492 -1.2059 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9133 0.4525 -2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1706 0.3847 -1.7342 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8180 0.3753 -3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7639 1.2449 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5976 1.6651 -3.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1523 0.0802 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3641 -1.2129 -2.9443 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0674 0.7444 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3521 -0.4791 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3366 -1.0662 -0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6534 -2.2868 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6015 -2.2738 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3232 -1.8646 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6802 0.5744 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8740 -0.5237 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5716 0.4635 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8965 -0.6604 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5389 1.2751 3.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0863 2.1563 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0108 2.5052 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0359 3.1120 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0741 2.3546 1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5994 1.4737 3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2221 0.4700 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7778 -0.6240 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 -0.2672 3.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4889 -0.9506 1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3195 1.2327 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9839 1.9994 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3184 1.3819 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4125 0.3207 3.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0126 -1.0415 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3437 -1.5519 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 0.2908 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1414 -0.2893 -0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5626 -2.1280 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8257 -2.5875 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7374 -1.3434 -2.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0766 -2.5769 -2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3542 0.3074 -2.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5638 1.3250 -2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8694 1.1947 -1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5279 -0.4865 -1.2185 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