methyl 2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

• ChemBase ID: 570077
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(C(=O)OC)CC2)CC
• Canonical SMILES: CCN1CC2(CCN(CC2)C(=O)OC)CC(C1=O)c1ccccc1
• InChI: InChI=1S/C19H26N2O3/c1-3-20-14-19(9-11-21(12-10-19)18(23)24-2)13-16(17(20)22)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
• InChIKey: UHUIKDIQQQMDTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
• IUPAC Traditional name: methyl 2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
• Synonyms: methyl 2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9544964
• LogD (pH = 7.4): 1.9544965
• Log P: 1.9544965
• Molar Refractivity: 92.4631 cm^3
• Polarizability: 35.921844 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.18
• LOG S: -3.47
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3