N-(naphthalen-1-yl)-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 705899
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: C(=O)(N1CC2(CC1)CNCCC2)Nc1c2c(ccc1)cccc2
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)Nc1cccc2c1cccc2
• InChI: InChI=1S/C19H23N3O/c23-18(22-12-10-19(14-22)9-4-11-20-13-19)21-17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,20H,4,9-14H2,(H,21,23)
• InChIKey: NDDBUQGWJFZZMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-yl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(naphthalen-1-yl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-1-naphthyl-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.732764
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7453875
• LogD (pH = 7.4): -0.13054319
• Log P: 2.4789739
• Molar Refractivity: 93.3282 cm^3
• Polarizability: 36.848785 Å^3
• Polar Surface Area: 44.37 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: 2.67
• LOG S: -3.74
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 1