1-methyl-2-oxo-3-phenyl-N-propyl-1,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 317668
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(C(=O)NCCC)CC2)C
• Canonical SMILES: CCCNC(=O)N1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C19H27N3O2/c1-3-11-20-18(24)22-12-9-19(10-13-22)14-16(17(23)21(19)2)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,20,24)
• InChIKey: OWGLVYXIOXMSCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-oxo-3-phenyl-N-propyl-1,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 1-methyl-2-oxo-3-phenyl-N-propyl-1,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: 1-methyl-2-oxo-3-phenyl-N-propyl-1,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.381211
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2677867
• LogD (pH = 7.4): 1.2677871
• Log P: 1.2677871
• Molar Refractivity: 94.282 cm^3
• Polarizability: 36.361626 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.42
• LOG S: -3.67
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3