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

• ChemBase ID: 844084
• Molecular Formular: C21H32N2O3
• Molecular Mass: 360.49038
• Monoisotopic Mass: 360.24129289
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)CCOc1ccccc1)CCCOC
• Canonical SMILES: COCCCN1CC2(CCN(CC2)CCOc2ccccc2)CCC1=O
• InChI: InChI=1S/C21H32N2O3/c1-25-16-5-12-23-18-21(9-8-20(23)24)10-13-22(14-11-21)15-17-26-19-6-3-2-4-7-19/h2-4,6-7H,5,8-18H2,1H3
• InChIKey: YUYSXMNQHSTGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3766314
• LogD (pH = 7.4): 0.28651184
• Log P: 1.7317467
• Molar Refractivity: 103.6113 cm^3
• Polarizability: 40.597836 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.56
• LOG S: -4.01
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8