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Chemical ID: 4160372

Chemical ID:

4160372

Name [?]:

4-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)-butanamide

SMILES [?]:

Cc1ccc(c(c1)C)OCCCC(=O)Nc2cc(cc(c2)C)C

InChi [?]:

InChI=1/C20H25NO2/c1-14-7-8-19(17(4)11-14)23-9-5-6-20(22)21-18-12-15(2)10-16(3)13-18/h7-8,10-13H,5-6,9H2,1-4H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,22,23,8,11,12,3,4,10,19,7,21,17,2,20,18,6,16,5,13,15,14,9/E:(2,3)(12,13)(15,16)/rA:23nCCCCCCCCOCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4842
Area:	564.931
Solvation:	-3.63904
Coulombic:	-27.9557

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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Chemical Mix	Source	External ID	Descriptor	Value