3-methoxy-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

• ChemBase ID: 510112
• Molecular Formular: C25H34N2O3
• Molecular Mass: 410.54906
• Monoisotopic Mass: 410.25694296
• SMILES: C(=O)(N(CC1CCN(CC1)C)CCc1ccc(cc1)OC)c1cc(c(cc1)C)OC
• Canonical SMILES: COc1ccc(cc1)CCN(C(=O)c1ccc(c(c1)OC)C)CC1CCN(CC1)C
• InChI: InChI=1S/C25H34N2O3/c1-19-5-8-22(17-24(19)30-4)25(28)27(18-21-11-14-26(2)15-12-21)16-13-20-6-9-23(29-3)10-7-20/h5-10,17,21H,11-16,18H2,1-4H3
• InChIKey: VAQPHFOFBDWURO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
• IUPAC Traditional name: 3-methoxy-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
• Synonyms: 3-methoxy-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-N-[(1-methyl-4-piperidinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7930332
• LogD (pH = 7.4): 2.407581
• Log P: 3.9698584
• Molar Refractivity: 122.5341 cm^3
• Polarizability: 46.93023 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -3.72
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6