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Chemical ID: 7366739

Chemical ID:

7366739

Name [?]:

2-(3,5-dimethylphenoxy)-N-(4-sec-butylphenyl)-acetamide

SMILES [?]:

CCC(C)c1ccc(cc1)NC(=O)COc2cc(cc(c2)C)C

InChi [?]:

InChI=1/C20H25NO2/c1-5-16(4)17-6-8-18(9-7-17)21-20(22)13-23-19-11-14(2)10-15(3)12-19/h6-12,16H,5,13H2,1-4H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,22,23,4,2,6,10,7,9,19,21,17,14,20,18,3,5,8,16,12,11,13,15/E:(2,3)(6,7)(8,9)(11,12)(14,15)/rA:23cCCCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	48
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0504
Area:	558.601
Solvation:	-3.91466
Coulombic:	-29.8347

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.52
LogP (Chemaxon):	5.4

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