2-(3-methoxypropyl)-9-(2-phenylpropyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 661987
• Molecular Formular: C22H34N2O2
• Molecular Mass: 358.51756
• Monoisotopic Mass: 358.26202834
• SMILES: N1(C(=O)CCC2(C1)CCN(CC(c1ccccc1)C)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CCN(CC2)CC(c2ccccc2)C)CCC1=O
• InChI: InChI=1S/C22H34N2O2/c1-19(20-7-4-3-5-8-20)17-23-14-11-22(12-15-23)10-9-21(25)24(18-22)13-6-16-26-2/h3-5,7-8,19H,6,9-18H2,1-2H3
• InChIKey: GNINDBXPYZSHQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-9-(2-phenylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-9-(2-phenylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-methoxypropyl)-9-(2-phenylpropyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 0.15911406
• Log P: 2.465804
• Molar Refractivity: 106.8983 cm^3
• Polarizability: 41.692734 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9617377

供应商提供(Chembridge)

• Log P: 3.04
• LOG S: -4.41
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0