2-{4-[1-(dimethylamino)ethyl]phenyl}-N,N-dimethylbenzamide

• ChemBase ID: 822040
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: C(=O)(c1c(c2ccc(C(N(C)C)C)cc2)cccc1)N(C)C
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1C(=O)N(C)C)N(C)C
• InChI: InChI=1S/C19H24N2O/c1-14(20(2)3)15-10-12-16(13-11-15)17-8-6-7-9-18(17)19(22)21(4)5/h6-14H,1-5H3
• InChIKey: CYYGLXQLLNKVON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(dimethylamino)ethyl]phenyl}-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-{4-[1-(dimethylamino)ethyl]phenyl}-N,N-dimethylbenzamide
• Synonyms: 4'-[1-(dimethylamino)ethyl]-N,N-dimethylbiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.017120508
• LogD (pH = 7.4): 1.5473198
• Log P: 3.2764354
• Molar Refractivity: 93.0275 cm^3
• Polarizability: 36.772583 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.0
• LOG S: -3.07
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4