Chemical ID: 6356044

CC(C)C(=O)Nc1ccc(cc1)C(=O)N
Chemical ID:
6356044
Name [?]:
4-(2-methylpropanoylamino)benzamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1)C(=O)N
InChi [?]:
InChI=1/C11H14N2O2/c1-7(2)11(15)13-9-5-3-8(4-6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,9,11,8,12,2,10,7,13,4,15,6,14,5/E:(1,2)(3,4)(5,6)/rA:15nCCCCONCCCCCCCON/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.03839
Area:391.937
Solvation:-2.76004
Coulombic:-46.0615
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.241
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.71
LogP (Chemaxon):1.21

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