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Chemical ID: 7372593

Chemical ID:

7372593

Name [?]:

2-(2-benzylphenoxy)-N-(4-methoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1)NC(=O)COc2ccccc2Cc3ccccc3

InChi [?]:

InChI=1/C22H21NO3/c1-25-20-13-11-19(12-14-20)23-22(24)16-26-21-10-6-5-9-18(21)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,17,16,22,26,18,15,5,7,4,8,20,12,21,19,6,3,14,10,9,11,2,13/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCOCCCCCCNCOCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁NO₃
All Atoms:	47
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.00529
Area:	571.491
Solvation:	-5.28198
Coulombic:	-37.5459

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:	4.34
LogP (Chemaxon):	4.7

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