Chemical ID: 4169435

Cc1cccc(c1NC(=O)COc2ccccc2)C
Chemical ID:
4169435
Name [?]:
N-(2,6-dimethylphenyl)-2-phenoxy-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccccc2)C
InChi [?]:
InChI=1/C16H17NO2/c1-12-7-6-8-13(2)16(12)17-15(18)11-19-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,16,15,17,4,3,5,14,18,11,2,6,13,9,7,8,10,12/E:(1,2)(4,5)(7,8)(9,10)(12,13)/rA:19nCCCCCCCNCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.28401
Area:456.007
Solvation:-4.11616
Coulombic:-28.9634
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.13
LogP (Chemaxon):2.51

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