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
9.2029 0.8208 -0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5690 -0.3981 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3989 -0.9224 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2844 0.0816 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7266 0.5434 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1469 -0.5682 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0263 -1.2902 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8629 -0.4201 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2558 0.2272 1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 1.1076 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0015 0.3217 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1837 1.2039 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1976 0.3133 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4479 1.0065 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 1.6198 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5035 0.5909 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4339 -0.4525 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7358 0.1091 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5634 -0.9772 -0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.8630 -0.7711 -0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3012 0.3962 -0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6617 -1.8938 -1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8570 -1.7106 -1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1185 1.0454 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5931 0.5260 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5017 1.6526 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2976 -0.2172 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3472 -1.1887 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7549 -1.1373 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0927 -1.8767 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4793 -0.2901 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7190 0.9696 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0154 1.3620 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5663 0.9821 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8803 -0.2213 2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9736 -1.3124 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3743 -1.8010 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6648 -2.0738 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0695 -1.1127 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0681 0.3118 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0500 0.9192 1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0028 -0.4982 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4393 1.8670 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 1.6558 1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 -0.0184 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2911 -0.5844 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5538 1.7671 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8195 1.9241 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4184 -0.5421 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7180 -0.1334 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1295 0.3240 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 1.8673 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4473 2.3612 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0274 2.1613 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9810 1.0671 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5920 0.1035 1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6740 -1.1403 1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9622 -1.0569 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5644 0.8764 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2810 0.6348 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2271 -1.9642 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2669 -2.8984 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4603 -2.5272 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2904 -0.7216 -1.9017 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