2-benzyl-8-(oxolane-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 427216
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)C1OCCC1)CC2)Cc1ccccc1
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)C(=O)C1CCCO1
• InChI: InChI=1S/C20H26N2O3/c23-18-13-20(15-22(18)14-16-5-2-1-3-6-16)8-10-21(11-9-20)19(24)17-7-4-12-25-17/h1-3,5-6,17H,4,7-15H2
• InChIKey: UXEZHFJWOYMHDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(oxolane-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(oxolane-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(tetrahydrofuran-2-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.953133
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0251436
• LogD (pH = 7.4): 1.0251439
• Log P: 1.0251439
• Molar Refractivity: 95.1727 cm^3
• Polarizability: 37.035793 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.03
• LOG S: -2.58
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3