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

• ChemBase ID: 336806
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: N1(C2(CCN(C(=O)CCC3CCCC3)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)CCC1CCCC1
• InChI: InChI=1S/C23H32N2O3/c26-21(11-10-19-6-4-5-7-19)24-16-14-23(15-17-24)13-12-22(27)25(23)28-18-20-8-2-1-3-9-20/h1-3,8-9,19H,4-7,10-18H2
• InChIKey: YHNDCZIWCDOSAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9992151
• LogD (pH = 7.4): 2.9992156
• Log P: 2.9992156
• Molar Refractivity: 108.5066 cm^3
• Polarizability: 42.553394 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.54
• LOG S: -5.03
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6