N-(naphthalen-1-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 504097
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)Nc1c2c(ccc1)cccc2
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C19H21N3O2/c23-17-12-19(13-20-17)8-10-22(11-9-19)18(24)21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H,20,23)(H,21,24)
• InChIKey: SDIDEVWBZOCQLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(naphthalen-1-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: N-1-naphthyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.726248
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5305381
• LogD (pH = 7.4): 1.5305362
• Log P: 1.5305382
• Molar Refractivity: 93.5057 cm^3
• Polarizability: 36.491497 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 0.69
• LOG S: -2.15
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1