Chemical ID: 4394369

CCc1ccc(cc1)OCC(=O)Nc2ccccc2C#N
Chemical ID:
4394369
Name [?]:
N-(2-cyanophenyl)-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-2-13-7-9-15(10-8-13)21-12-17(20)19-16-6-4-3-5-14(16)11-18/h3-10H,2,12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,4,8,5,7,20,10,3,19,6,14,11,21,13,12,9/E:(7,8)(9,10)/rA:21nCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.72215
Area:506.823
Solvation:-3.94843
Coulombic:-32.9763
Bond Count [?]
All:22
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):3.55

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