Chemical ID: 7474145

Cc1ccc(c(c1)OCC(=O)Nc2c(cccc2C)C)C(C)C
Chemical ID:
7474145
Name [?]:
N-(2,6-dimethylphenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2c(cccc2C)C)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)17-10-9-14(3)11-18(17)23-12-19(22)21-20-15(4)7-6-8-16(20)5/h6-11,13H,12H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,19,20,16,17,15,3,4,7,9,21,2,18,14,5,6,10,13,12,11,8/E:(1,2)(4,5)(7,8)(15,16)/rA:23nCCCCCCCOCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s14;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:48
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.61541
Area:542.137
Solvation:-3.938
Coulombic:-29.458
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:4.76
LogP (Chemaxon):4.17

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