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

• ChemBase ID: 518883
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: N1(C(=O)OC)CCC2(CC(CN(C2)CC)c2ccccc2)CC1
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)C(=O)OC)c1ccccc1
• InChI: InChI=1S/C19H28N2O2/c1-3-20-14-17(16-7-5-4-6-8-16)13-19(15-20)9-11-21(12-10-19)18(22)23-2/h4-8,17H,3,9-15H2,1-2H3
• InChIKey: RGZYVNORVHQUNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6801238
• LogD (pH = 7.4): 0.5243451
• Log P: 2.7283833
• Molar Refractivity: 92.7347 cm^3
• Polarizability: 36.16156 Å^3
• Polar Surface Area: 32.78 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: 3.2
• LOG S: -3.23
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3