Chemical ID: 4152269

Cc1ccc(c(c1)NC(=O)COc2ccc(c(c2)C)C(C)C)C
Chemical ID:
4152269
Name [?]:
N-(2,5-dimethylphenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(c(c2)C)C(C)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)18-9-8-17(11-16(18)5)23-12-20(22)21-19-10-14(3)6-7-15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:21,22,1,23,19,3,4,14,15,7,18,11,20,2,5,17,13,16,6,9,8,10,12/E:(1,2)/rA:23nCCCCCCCNCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.76352
Area:546.495
Solvation:-3.89886
Coulombic:-29.4314
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:5.18
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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