4-methoxy-N-(2-methoxyethyl)-2-({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}oxy)benzamide

• ChemBase ID: 582100
• Molecular Formular: C22H30N2O5
• Molecular Mass: 402.484
• Monoisotopic Mass: 402.21547207
• SMILES: c1(c(cc(cc1)OC)OC1CCN(Cc2oc(cc2)C)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)Cc1ccc(o1)C)OC
• InChI: InChI=1S/C22H30N2O5/c1-16-4-5-19(28-16)15-24-11-8-17(9-12-24)29-21-14-18(27-3)6-7-20(21)22(25)23-10-13-26-2/h4-7,14,17H,8-13,15H2,1-3H3,(H,23,25)
• InChIKey: QCCHCOSDLBJZSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-methoxyethyl)-2-({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}oxy)benzamide
• IUPAC Traditional name: 4-methoxy-N-(2-methoxyethyl)-2-({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}oxy)benzamide
• Synonyms: 4-methoxy-N-(2-methoxyethyl)-2-({1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198495
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7431387
• LogD (pH = 7.4): 1.0175875
• Log P: 1.6963314
• Molar Refractivity: 111.6073 cm^3
• Polarizability: 42.661522 Å^3
• Polar Surface Area: 73.17 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.6
• LOG S: -4.02
• Polar Surface Area: 73.17 Å^2
• Rotatable Bonds: 7