Chemical ID: 6970137

Cc1ccc(c(c1)C)NC(=O)COc2cc(ccc2C(C)C)C
Chemical ID:
6970137
Name [?]:
N-(2,4-dimethylphenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)17-8-6-15(4)11-19(17)23-12-20(22)21-18-9-7-14(3)10-16(18)5/h6-11,13H,12H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:21,22,1,23,8,17,3,18,4,7,15,12,20,2,16,6,19,5,14,10,9,11,13/E:(1,2)/rA:23nCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:48
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.936
Area:550.756
Solvation:-3.83291
Coulombic:-29.6071
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):4.82

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Descriptor Annotations

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