Chemical ID: 6591316

CC1CCCCC1NC(=O)COc2ccc(cc2)C#N
Chemical ID:
6591316
Name [?]:
2-(4-cyanophenoxy)-N-(2-methylcyclohexyl)-acetamide
SMILES [?]:
CC1CCCCC1NC(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H20N2O2/c1-12-4-2-3-5-15(12)18-16(19)11-20-14-8-6-13(10-17)7-9-14/h6-9,12,15H,2-5,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,19,11,2,16,13,7,9,20,8,10,12/E:(6,7)(8,9)/rA:20cCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.23936
Area:493.759
Solvation:-4.10463
Coulombic:-32.3843
Bond Count [?]
All:21
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.342
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):2.52

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