9-(3-ethoxypropanoyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 520386
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(C(=O)CCOCC)CC2)CC
• Canonical SMILES: CCOCCC(=O)N1CCC2(CC1)CN(CC)C(=O)C(C2)c1ccccc1
• InChI: InChI=1S/C22H32N2O3/c1-3-23-17-22(16-19(21(23)26)18-8-6-5-7-9-18)11-13-24(14-12-22)20(25)10-15-27-4-2/h5-9,19H,3-4,10-17H2,1-2H3
• InChIKey: XLVXYUQQFGQXRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-ethoxypropanoyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(3-ethoxypropanoyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(3-ethoxypropanoyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7549043
• LogD (pH = 7.4): 1.7549045
• Log P: 1.7549045
• Molar Refractivity: 106.7409 cm^3
• Polarizability: 41.44229 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: 2.62
• LOG S: -4.15
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6