2,3-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide

• ChemBase ID: 746453
• Molecular Formular: C24H32N2O3
• Molecular Mass: 396.52248
• Monoisotopic Mass: 396.24129289
• SMILES: c1(C(=O)N(CC2CN(CCC2)C)CCc2ccccc2)c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(OC)cccc1C(=O)N(CC1CCCN(C1)C)CCc1ccccc1
• InChI: InChI=1S/C24H32N2O3/c1-25-15-8-11-20(17-25)18-26(16-14-19-9-5-4-6-10-19)24(27)21-12-7-13-22(28-2)23(21)29-3/h4-7,9-10,12-13,20H,8,11,14-18H2,1-3H3
• InChIKey: ZITCAJZKMWNQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 2,3-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
• Synonyms: 2,3-dimethoxy-N-[(1-methyl-3-piperidinyl)methyl]-N-(2-phenylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Log P: 3.4979937
• Molar Refractivity: 117.3941 cm^3
• Polarizability: 45.168373 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.42540175
• LogD (pH = 7.4): 2.1086195

供应商提供(Chembridge)

• Log P: 3.11
• LOG S: -3.24
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0