N-({8-[(2,4,5-trimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)furan-2-carboxamide

• ChemBase ID: 452342
• Molecular Formular: C24H32N2O6
• Molecular Mass: 444.52068
• Monoisotopic Mass: 444.22603675
• SMILES: c1(c(cc(c(c1)OC)OC)OC)CN1CCC2(OC(CNC(=O)c3occc3)CC2)CC1
• Canonical SMILES: COc1cc(OC)c(cc1CN1CCC2(CC1)CCC(O2)CNC(=O)c1ccco1)OC
• InChI: InChI=1S/C24H32N2O6/c1-28-20-14-22(30-3)21(29-2)13-17(20)16-26-10-8-24(9-11-26)7-6-18(32-24)15-25-23(27)19-5-4-12-31-19/h4-5,12-14,18H,6-11,15-16H2,1-3H3,(H,25,27)
• InChIKey: GWTCCEPQMFHFPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-[(2,4,5-trimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)furan-2-carboxamide
• IUPAC Traditional name: N-({8-[(2,4,5-trimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)furan-2-carboxamide
• Synonyms: N-{[8-(2,4,5-trimethoxybenzyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.994483
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.6933306
• LogD (pH = 7.4): 1.0649469
• Log P: 1.728432
• Molar Refractivity: 120.0216 cm^3
• Polarizability: 46.393787 Å^3
• Polar Surface Area: 82.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.13
• LOG S: -4.37
• Polar Surface Area: 82.4 Å^2
• Rotatable Bonds: 5