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Chemical ID: 7257131

Chemical ID:

7257131

Name [?]:

2-(3-cyanophenoxy)-N-(2-ethyl-6-methyl-phenyl)-acetamide

SMILES [?]:

CCc1cccc(c1NC(=O)COc2cccc(c2)C#N)C

InChi [?]:

InChI=1/C18H18N2O2/c1-3-15-8-4-6-13(2)18(15)20-17(21)12-22-16-9-5-7-14(10-16)11-19/h4-10H,3,12H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,2,5,16,6,17,4,15,19,20,12,7,18,3,14,10,8,21,9,11,13/rA:22nCCCCCCCCNCOCOCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;t20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₂
All Atoms:	40
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.38594
Area:	516.684
Solvation:	-4.53117
Coulombic:	-31.6818

Bond Count [?]

All:	23
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	294.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.31
LogP (Chemaxon):	2.72

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