Chemical ID: 4409363

CCCCC(=O)Nc1cccc(c1C)C
Chemical ID:
4409363
Name [?]:
N-(2,3-dimethylphenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1cccc(c1C)C
InChi [?]:
InChI=1/C13H19NO/c1-4-5-9-13(15)14-12-8-6-7-10(2)11(12)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,14,2,3,10,11,9,4,12,13,8,5,7,6/rA:15nCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.49054
Area:410.471
Solvation:-1.77123
Coulombic:-21.069
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.33
LogP (Chemaxon):3.08

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