Chemical ID: 4160367

Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2C)C
Chemical ID:
4160367
Name [?]:
4-(2,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14-10-11-19(16(3)13-14)23-12-6-9-20(22)21-18-8-5-7-15(2)17(18)4/h5,7-8,10-11,13H,6,9,12H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,8,22,18,11,19,17,12,3,4,10,7,2,20,6,21,16,5,13,15,14,9/rA:23nCCCCCCCCOCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2974
Area:555.933
Solvation:-3.6009
Coulombic:-28.1294
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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