Chemical ID: 4398367

Cc1ccc(cc1C)OCC(=O)Nc2ccccc2C#N
Chemical ID:
4398367
Name [?]:
N-(2-cyanophenyl)-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-12-7-8-15(9-13(12)2)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:1,8,17,16,18,15,3,4,6,20,10,2,7,19,5,14,11,21,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;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:8.58265
Area:501.904
Solvation:-3.96495
Coulombic:-32.4195
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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue