Chemical ID: 7269840

CC(c1ccncc1)NC(=O)COc2ccccc2C#N
Chemical ID:
7269840
Name [?]:
2-(2-cyanophenoxy)-N-[1-(4-pyridyl)ethyl]acetamide
SMILES [?]:
CC(c1ccncc1)NC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C16H15N3O2/c1-12(13-6-8-18-9-7-13)19-16(20)11-21-15-5-3-2-4-14(15)10-17/h2-9,12H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,4,8,5,7,20,12,2,3,19,14,10,21,6,9,11,13/E:(6,7)(8,9)/rA:21cCCCCCNCCNCOCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O2
All Atoms:36
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.32727
Area:507.09
Solvation:-5.34998
Coulombic:-36.0914
Bond Count [?]
All:22
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.309
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):1.41

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