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Chemical ID: 6333421

Chemical ID:

6333421

Name [?]:

2-phenoxy-N-(2-phenoxyphenyl)-butanamide

SMILES [?]:

CCC(C(=O)Nc1ccccc1Oc2ccccc2)Oc3ccccc3

InChi [?]:

InChI=1/C22H21NO3/c1-2-20(25-17-11-5-3-6-12-17)22(24)23-19-15-9-10-16-21(19)26-18-13-7-4-8-14-18/h3-16,20H,2H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,24,17,23,25,16,18,9,10,22,26,15,19,8,11,21,14,7,3,12,4,6,5,20,13/E:(5,6)(7,8)(11,12)(13,14)/rA:26cCCCCONCCCCCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s16;d17;d14s18;s3;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁NO₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	10.596
Area:	568.672
Solvation:	-3.62077
Coulombic:	-40.8901

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	347.407
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.04
LogP (Chemaxon):	5.31

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value