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

• ChemBase ID: 860795
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(C(=O)OC(C)C)CC2)CC
• Canonical SMILES: CCN1CC2(CCN(CC2)C(=O)OC(C)C)CC(C1=O)c1ccccc1
• InChI: InChI=1S/C21H30N2O3/c1-4-22-15-21(10-12-23(13-11-21)20(25)26-16(2)3)14-18(19(22)24)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15H2,1-3H3
• InChIKey: YNWQAMPCBYQHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
• IUPAC Traditional name: isopropyl 2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
• Synonyms: isopropyl 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): 2.7278793
• LogD (pH = 7.4): 2.7278795
• Log P: 2.7278795
• Molar Refractivity: 101.6305 cm^3
• Polarizability: 39.601574 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.06
• LOG S: -4.43
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4