N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide

• ChemBase ID: 332468
• Molecular Formular: C28H32N2O4
• Molecular Mass: 460.56468
• Monoisotopic Mass: 460.23620751
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)C)CC(=O)NCC1OC2(CCN(Cc3ccccc3)CC2)CC1
• Canonical SMILES: O=C(Cc1cc(=O)oc2c1ccc(c2)C)NCC1CCC2(O1)CCN(CC2)Cc1ccccc1
• InChI: InChI=1S/C28H32N2O4/c1-20-7-8-24-22(17-27(32)33-25(24)15-20)16-26(31)29-18-23-9-10-28(34-23)11-13-30(14-12-28)19-21-5-3-2-4-6-21/h2-8,15,17,23H,9-14,16,18-19H2,1H3,(H,29,31)
• InChIKey: ZNETWMXJRQNFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide
• IUPAC Traditional name: N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
• Synonyms: N-[(8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)methyl]-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.344928
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21815749
• LogD (pH = 7.4): 1.9286913
• Log P: 3.2308729
• Molar Refractivity: 132.0651 cm^3
• Polarizability: 51.122246 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.24
• LOG S: -5.63
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 6