Chemical ID: 4152272

CCc1ccccc1NC(=O)COc2ccc(c(c2)C)C(C)C
Chemical ID:
4152272
Name [?]:
N-(2-ethylphenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)COc2ccc(c(c2)C)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-5-16-8-6-7-9-19(16)21-20(22)13-23-17-10-11-18(14(2)3)15(4)12-17/h6-12,14H,5,13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,20,2,5,6,4,7,15,16,19,12,21,18,3,14,17,8,10,9,11,13/E:(2,3)/rA:23nCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.82503
Area:548.006
Solvation:-3.87512
Coulombic:-30.0246
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.21
LogP (Chemaxon):4.75

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Descriptor Annotations

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