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Chemical ID: 7258606

c1ccc(cc1)COc2ccc(cc2)NC(=O)CNc3ccccc3C#N

Chemical ID:

7258606

Name [?]:

N-(4-benzyloxyphenyl)-2-(2-cyanophenyl)amino-acetamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)NC(=O)CNc3ccccc3C#N

InChi [?]:

InChI=1/C22H19N3O2/c23-14-18-8-4-5-9-21(18)24-15-22(26)25-19-10-12-20(13-11-19)27-16-17-6-2-1-3-7-17/h1-13,24H,15-16H2,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,22,3,5,24,21,11,13,10,14,26,18,7,4,25,12,9,20,16,27,19,15,17,8/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCCOCCCCCCNCOCNCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₃O₂
All Atoms:	46
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7981
Area:	614.858
Solvation:	-4.57331
Coulombic:	-45.4352

Bond Count [?]

All:	29
Single:	18
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	357.405
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.18
LogP (Chemaxon):	4.04

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