methyl 1-(benzyloxy)-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

• ChemBase ID: 370446
• Molecular Formular: C21H30N2O4
• Molecular Mass: 374.4739
• Monoisotopic Mass: 374.22055745
• SMILES: C12(N(C(=O)CC1C(=O)OC)OCc1ccccc1)CCN(CC2)CC(C)C
• Canonical SMILES: COC(=O)C1CC(=O)N(C21CCN(CC2)CC(C)C)OCc1ccccc1
• InChI: InChI=1S/C21H30N2O4/c1-16(2)14-22-11-9-21(10-12-22)18(20(25)26-3)13-19(24)23(21)27-15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3
• InChIKey: SQLBCSSDDLLPIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(benzyloxy)-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• IUPAC Traditional name: methyl 1-(benzyloxy)-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• Synonyms: methyl 1-(benzyloxy)-8-isobutyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.857113
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0252494
• LogD (pH = 7.4): 0.49856427
• Log P: 2.2390668
• Molar Refractivity: 103.0573 cm^3
• Polarizability: 40.68777 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.93
• LOG S: -4.43
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7