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
-5.9487 2.3286 -1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0794 2.8575 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0744 2.6216 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6910 1.3638 1.7145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0351 0.2560 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6483 -0.4505 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7934 -1.6855 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4330 -1.2389 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5319 -2.3999 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 -3.4001 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7512 -2.8327 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6389 -2.2604 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2063 -1.7093 2.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5909 -1.1608 1.8474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5245 -0.0603 0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9226 0.5141 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8305 -0.5746 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2084 -0.0016 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1357 1.0359 -1.0733 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3203 1.7248 -1.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3910 1.3816 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3352 2.7612 -2.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2639 3.1432 -3.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5268 3.0057 -1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4386 1.3460 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9091 2.3760 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1861 4.0037 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1237 2.5906 0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3712 3.3144 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1030 3.2170 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 1.5604 2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5857 0.8761 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6980 -0.4960 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0263 0.6821 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7041 -0.6782 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4053 0.1996 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3132 -2.2688 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8204 -2.3206 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 -0.7241 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4040 -0.5170 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0202 -2.8863 -2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5620 -1.9700 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -4.1599 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2759 -3.9851 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 -3.6562 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3447 -2.0412 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5336 -1.3924 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3154 -2.9752 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5713 -0.8230 2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2000 -2.4651 2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 -0.8312 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1623 -2.0209 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2491 -0.4806 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8251 0.7412 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2733 0.7918 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9150 1.3734 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3932 -0.9420 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9419 -1.4107 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9198 -0.8051 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5314 0.4130 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2206 1.2471 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2758 3.2666 -2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3201 2.6855 -2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2860 3.9457 -3.8058 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