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Chemical ID: 5524101

Chemical ID:

5524101

Name [?]:

N-(4-butylphenyl)-2-(3-methylphenoxy)-propanamide

SMILES [?]:

CCCCc1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,15,2,3,19,20,4,18,6,10,7,9,22,21,14,5,8,17,12,11,13,16/E:(10,11)(12,13)/rA:23cCCCCCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.5979
Area:	563.585
Solvation:	-3.4917
Coulombic:	-31.2189

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.68
LogP (Chemaxon):	5.54

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