8-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 574756
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cc(c3c(OC)cccc3)ccc1)CC2)C
• Canonical SMILES: COc1ccccc1c1cccc(c1)C(=O)N1CCC2(CC1)OC(=O)N(C2)C
• InChI: InChI=1S/C22H24N2O4/c1-23-15-22(28-21(23)26)10-12-24(13-11-22)20(25)17-7-5-6-16(14-17)18-8-3-4-9-19(18)27-2/h3-9,14H,10-13,15H2,1-2H3
• InChIKey: ODVSVVWQZZXUGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2'-methoxybiphenyl-3-yl)carbonyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3860276
• LogD (pH = 7.4): 2.3860278
• Log P: 2.3860278
• Molar Refractivity: 105.7957 cm^3
• Polarizability: 41.797016 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.1
• LOG S: -3.77
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3