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
8.6997 -1.0044 -2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3449 -0.5048 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5133 0.2401 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3283 0.8113 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2497 0.0067 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4798 -0.9321 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3492 -1.5647 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3876 -0.5649 1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 0.2507 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7528 1.2258 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0748 2.0512 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7226 1.2239 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7982 0.4359 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5441 -0.3638 -1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6425 -1.1895 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6575 -0.3486 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3096 0.6121 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3248 1.4462 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3434 0.5947 0.4880 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1686 -0.2456 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0209 -0.2642 -1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1914 -1.1043 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3997 -1.1357 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5772 -1.8899 -2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1830 -0.2138 -2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3197 -1.2475 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9893 0.2101 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6297 -1.3163 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3301 1.0299 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0415 -0.4226 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8778 1.6560 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7262 1.4493 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4980 0.7301 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6891 -0.5952 1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 -0.5765 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1053 -1.8583 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8605 -2.0381 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8506 -2.3561 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5475 -1.1560 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7978 0.0850 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4425 0.8617 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 -0.4183 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3295 1.9241 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 0.7220 1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8733 2.5677 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 2.8300 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 1.9318 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0895 0.5151 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5288 1.1569 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3669 -0.2175 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9281 0.3439 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8625 -1.0524 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1550 -1.7803 -1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1488 -1.8490 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1957 0.2110 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4586 -1.0403 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7253 0.0597 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5680 1.3210 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8445 2.1325 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8335 2.0737 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4367 0.6362 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8090 -1.7439 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1937 -1.8118 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8376 -0.5401 2.3118 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