N-({8-cyclopropanecarbonyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide

• ChemBase ID: 349159
• Molecular Formular: C25H30N2O5
• Molecular Mass: 438.5161
• Monoisotopic Mass: 438.21547207
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)C)CC(=O)NCC1OC2(CCN(C(=O)C3CC3)CC2)CC1
• Canonical SMILES: O=C(Cc1cc(=O)oc2c1ccc(c2)C)NCC1CCC2(O1)CCN(CC2)C(=O)C1CC1
• InChI: InChI=1S/C25H30N2O5/c1-16-2-5-20-18(14-23(29)31-21(20)12-16)13-22(28)26-15-19-6-7-25(32-19)8-10-27(11-9-25)24(30)17-3-4-17/h2,5,12,14,17,19H,3-4,6-11,13,15H2,1H3,(H,26,28)
• InChIKey: IVQONFQHEPAPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-cyclopropanecarbonyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide
• IUPAC Traditional name: N-({8-cyclopropanecarbonyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
• Synonyms: N-{[8-(cyclopropylcarbonyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.204192
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5130901
• LogD (pH = 7.4): 1.5130904
• Log P: 1.5130904
• Molar Refractivity: 119.1229 cm^3
• Polarizability: 46.036194 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.24
• LOG S: -5.21
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 5