2-[2-(dimethylamino)benzoyl]-N,N-dimethylaniline

• ChemBase ID: 120388
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: C(=O)(c1c(N(C)C)cccc1)c1c(N(C)C)cccc1
• Canonical SMILES: O=C(c1ccccc1N(C)C)c1ccccc1N(C)C
• InChI: InChI=1S/C17H20N2O/c1-18(2)15-11-7-5-9-13(15)17(20)14-10-6-8-12-16(14)19(3)4/h5-12H,1-4H3
• InChIKey: YJLQJOKWTHABDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(dimethylamino)benzoyl]-N,N-dimethylaniline
• IUPAC Traditional name: 2-[2-(dimethylamino)benzoyl]-N,N-dimethylaniline
• Synonyms: bis(2-(dimethylamino)phenyl)methanone

Database IDs

• PubChem SID: 162214741
• PubChem CID: 658530

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6478317
• LogD (pH = 7.4): 3.648676
• Log P: 3.6486866
• Molar Refractivity: 85.4907 cm^3
• Polarizability: 31.649738 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true