N-(2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-[(1-methylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 321865
• Molecular Formular: C22H26N2O4
• Molecular Mass: 382.45284
• Monoisotopic Mass: 382.18925732
• SMILES: C(=O)(NC1c2c(OC1)cccc2)c1cc(c(OC2CCN(CC2)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C)C(=O)NC1COc2c1cccc2
• InChI: InChI=1S/C22H26N2O4/c1-24-11-9-16(10-12-24)28-20-8-7-15(13-21(20)26-2)22(25)23-18-14-27-19-6-4-3-5-17(18)19/h3-8,13,16,18H,9-12,14H2,1-2H3,(H,23,25)
• InChIKey: OEGDPPCDITUYOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-[(1-methylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-[(1-methylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-(2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-[(1-methylpiperidin-4-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.680467
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6160185
• LogD (pH = 7.4): 1.143543
• Log P: 2.2140698
• Molar Refractivity: 107.1876 cm^3
• Polarizability: 41.42433 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.28
• LOG S: -3.94
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 5