Chemical ID: 6345893

Cc1ccc(cc1C)C(=O)NC2CC2
Chemical ID:
6345893
Name [?]:
N-cyclopropyl-3,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)NC2CC2
InChi [?]:
InChI=1/C12H15NO/c1-8-3-4-10(7-9(8)2)12(14)13-11-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,13,14,6,2,7,5,12,9,11,10/E:(5,6)/rA:14nCCCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.09666
Area:382.769
Solvation:-1.47257
Coulombic:-22.8358
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.84
LogP (Chemaxon):2.27

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