8-[3-(benzyloxy)propyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 494289
• Molecular Formular: C22H32N2O2
• Molecular Mass: 356.50168
• Monoisotopic Mass: 356.24637827
• SMILES: N1(C(=O)CCC2(C1)CN(CCCOCc1ccccc1)CCC2)C1CC1
• Canonical SMILES: O=C1CCC2(CN1C1CC1)CCCN(C2)CCCOCc1ccccc1
• InChI: InChI=1S/C22H32N2O2/c25-21-10-12-22(18-24(21)20-8-9-20)11-4-13-23(17-22)14-5-15-26-16-19-6-2-1-3-7-19/h1-3,6-7,20H,4-5,8-18H2
• InChIKey: MLZBUSFWQBRYHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(benzyloxy)propyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[3-(benzyloxy)propyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[3-(benzyloxy)propyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.88805026
• LogD (pH = 7.4): 0.54716045
• Log P: 2.4336421
• Molar Refractivity: 104.7289 cm^3
• Polarizability: 41.034424 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.28
• LOG S: -4.6
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7