ethyl 2-({2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl}amino)acetate

• ChemBase ID: 568094
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C1(=O)NC2(CC1c1ccccc1)CCN(C(=O)NCC(=O)OCC)CC2
• Canonical SMILES: CCOC(=O)CNC(=O)N1CCC2(CC1)CC(C(=O)N2)c1ccccc1
• InChI: InChI=1S/C19H25N3O4/c1-2-26-16(23)13-20-18(25)22-10-8-19(9-11-22)12-15(17(24)21-19)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,25)(H,21,24)
• InChIKey: OJCOMCTVBJDTEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-({2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl}amino)acetate
• IUPAC Traditional name: ethyl 2-{2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonylamino}acetate
• Synonyms: ethyl N-[(2-oxo-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)carbonyl]glycinate

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.864067
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1454659
• LogD (pH = 7.4): 0.14546585
• Log P: 0.14546598
• Molar Refractivity: 95.715 cm^3
• Polarizability: 37.166832 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.93
• LOG S: -2.62
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5