2-{7,9-dioxo-8-azaspiro[4.5]decan-8-yl}-N-[(2-methoxyphenyl)methyl]acetamide

• ChemBase ID: 630321
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)CC(=O)NCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CNC(=O)CN1C(=O)CC2(CC1=O)CCCC2
• InChI: InChI=1S/C19H24N2O4/c1-25-15-7-3-2-6-14(15)12-20-16(22)13-21-17(23)10-19(11-18(21)24)8-4-5-9-19/h2-3,6-7H,4-5,8-13H2,1H3,(H,20,22)
• InChIKey: DLCYRZRLMZXGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7,9-dioxo-8-azaspiro[4.5]decan-8-yl}-N-[(2-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-{7,9-dioxo-8-azaspiro[4.5]decan-8-yl}-N-[(2-methoxyphenyl)methyl]acetamide
• Synonyms: 2-(7,9-dioxo-8-azaspiro[4.5]dec-8-yl)-N-(2-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.101033
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1487694
• LogD (pH = 7.4): 1.1487694
• Log P: 1.1487694
• Molar Refractivity: 92.0819 cm^3
• Polarizability: 36.0001 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.54
• LOG S: -3.88
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 5