Chemical ID: 6990102

Cc1cc(cc(c1)OCC(=O)Nc2ccccc2C#N)C
Chemical ID:
6990102
Name [?]:
N-(2-cyanophenyl)-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccccc2C#N)C
InChi [?]:
InChI=1/C17H16N2O2/c1-12-7-13(2)9-15(8-12)21-11-17(20)19-16-6-4-3-5-14(16)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,16,15,17,14,3,7,5,19,9,2,4,18,6,13,10,20,12,11,8/E:(1,2)(8,9)(12,13)/rA:21nCCCCCCCOCCONCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;t19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.66236
Area:504.904
Solvation:-3.96024
Coulombic:-32.4741
Bond Count [?]
All:22
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):3.63

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Descriptor Annotations

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