Chemical ID: 4477600

CC(C(=O)Nc1cccc(c1)C#N)Oc2ccc(cc2)OC
Chemical ID:
4477600
Name [?]:
N-(3-cyanophenyl)-2-(4-methoxyphenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1cccc(c1)C#N)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H16N2O3/c1-12(22-16-8-6-15(21-2)7-9-16)17(20)19-14-5-3-4-13(10-14)11-18/h3-10,12H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,8,9,7,17,19,16,20,11,12,2,10,6,18,15,3,13,5,4,21,14/E:(6,7)(8,9)/rA:22cCCCONCCCCCCCNOCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;t12;s2;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.74242
Area:520.15
Solvation:-5.26134
Coulombic:-39.1968
Bond Count [?]
All:23
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.98

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Descriptor Annotations

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