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
-8.0402 0.4179 -4.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1005 -1.0393 -3.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6953 -1.4277 -2.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2774 -1.0500 -2.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2671 -1.6628 -3.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8800 -1.2805 -2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6533 0.1911 -2.6664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.5561 -2.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9440 0.0647 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5340 0.4480 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5093 -0.0959 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8940 0.2940 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2109 -0.2613 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6117 0.1151 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7954 1.5659 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1353 2.0698 1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8093 1.6142 2.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3088 0.2230 2.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9145 -0.1032 4.0574 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1723 -0.0934 5.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9526 0.2042 5.1495 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7359 -0.3944 6.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9954 -0.7058 6.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9133 0.7546 -4.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0284 1.0612 -3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1452 0.6525 -4.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5838 -1.6220 -4.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1857 -1.3419 -4.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3449 -0.8389 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9237 -2.4791 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0974 -1.3864 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2363 0.0603 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3016 -2.7750 -3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4087 -1.3698 -4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7138 -1.6915 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1004 -1.7710 -3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3841 0.7228 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8149 0.5995 -3.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 0.1478 -2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1467 1.6655 -2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1414 -0.9994 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6358 0.6113 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4872 1.5585 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3608 0.0731 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 0.3459 -2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4028 -1.1933 -1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9951 1.4016 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6494 -0.1693 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -1.3845 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4775 -0.0691 1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5936 -0.3194 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3749 -0.4008 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4796 2.1139 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 1.9449 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1462 3.2157 1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8748 1.8282 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6179 2.3575 3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0580 1.7556 3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1871 0.1886 2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6279 -0.5139 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9161 -0.3580 4.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0581 -0.3520 7.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6725 -0.7478 5.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3290 -0.9259 7.8118 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