ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 3637423

Cc1ccc(cc1C)NC(=O)COc2ccc(cc2)OCc3ccccc3

Chemical ID:

3637423

Name [?]:

2-(4-benzyloxyphenoxy)-N-(3,4-dimethylphenyl)-acetamide

SMILES [?]:

Cc1ccc(cc1C)NC(=O)COc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C23H23NO3/c1-17-8-9-20(14-18(17)2)24-23(25)16-27-22-12-10-21(11-13-22)26-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,8,25,24,26,23,27,3,4,16,18,15,19,6,21,12,2,7,22,5,17,14,10,9,11,20,13/E:(4,5)(6,7)(10,11)(12,13)/rA:27nCCCCCCCCNCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃NO₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81871
Area:	616.328
Solvation:	-5.5895
Coulombic:	-37.115

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	361.434
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.17
LogP (Chemaxon):	5.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value