8-{[2-(cyclopentyloxy)phenyl]methyl}-1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 723675
• Molecular Formular: C19H25NO4
• Molecular Mass: 331.4061
• Monoisotopic Mass: 331.17835829
• SMILES: C1(=O)OC2(CCN(Cc3c(OC4CCCC4)cccc3)CC2)CO1
• Canonical SMILES: O=C1OCC2(O1)CCN(CC2)Cc1ccccc1OC1CCCC1
• InChI: InChI=1S/C19H25NO4/c21-18-22-14-19(24-18)9-11-20(12-10-19)13-15-5-1-4-8-17(15)23-16-6-2-3-7-16/h1,4-5,8,16H,2-3,6-7,9-14H2
• InChIKey: WNFHXLUIGWTSFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[2-(cyclopentyloxy)phenyl]methyl}-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-{[2-(cyclopentyloxy)phenyl]methyl}-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 8-[2-(cyclopentyloxy)benzyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.57347953
• LogD (pH = 7.4): 2.3472612
• Log P: 3.242393
• Molar Refractivity: 89.8971 cm^3
• Polarizability: 35.744778 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.89
• LOG S: -3.08
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4