Chemical ID: 4160371

Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccc(c(c2)C)C
Chemical ID:
4160371
Name [?]:
4-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14-7-10-19(17(4)12-14)23-11-5-6-20(22)21-18-9-8-15(2)16(3)13-18/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,8,11,12,3,18,17,4,10,7,21,2,19,20,6,16,5,13,15,14,9/rA:23nCCCCCCCCOCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3546
Area:560.785
Solvation:-3.66506
Coulombic:-27.9164
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:4.73
LogP (Chemaxon):5.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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