1-(benzyloxy)-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 327621
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: N1(C2(CCN(C(=O)CC(C)(C)C)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)CC(C)(C)C
• InChI: InChI=1S/C21H30N2O3/c1-20(2,3)15-19(25)22-13-11-21(12-14-22)10-9-18(24)23(21)26-16-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
• InChIKey: MUOMXJPYPDJMQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-(benzyloxy)-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4292822
• LogD (pH = 7.4): 2.4292827
• Log P: 2.4292827
• Molar Refractivity: 100.9809 cm^3
• Polarizability: 39.59911 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.74
• LOG S: -4.15
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5