N-(3-methyl-4-{3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl}phenyl)acetamide

• ChemBase ID: 493516
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)c1c(cc(NC(=O)C)cc1)C
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C)C(=O)N1CCC2(CC1)CNC(=O)C2
• InChI: InChI=1S/C18H23N3O3/c1-12-9-14(20-13(2)22)3-4-15(12)17(24)21-7-5-18(6-8-21)10-16(23)19-11-18/h3-4,9H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,22)
• InChIKey: VBVQSTZHAWKYPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methyl-4-{3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl}phenyl)acetamide
• IUPAC Traditional name: N-(3-methyl-4-{3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl}phenyl)acetamide
• Synonyms: N-{3-methyl-4-[(3-oxo-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.648747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.23866832
• LogD (pH = 7.4): 0.23866838
• Log P: 0.2386686
• Molar Refractivity: 92.4984 cm^3
• Polarizability: 34.315662 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.55
• LOG S: -2.44
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2