8-[2-(3,4-dimethoxyphenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 435369
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)Cc1cc(c(cc1)OC)OC)CC2)C
• Canonical SMILES: COc1cc(ccc1OC)CC(=O)N1CCC2(CC1)OC(=O)N(C2)C
• InChI: InChI=1S/C18H24N2O5/c1-19-12-18(25-17(19)22)6-8-20(9-7-18)16(21)11-13-4-5-14(23-2)15(10-13)24-3/h4-5,10H,6-9,11-12H2,1-3H3
• InChIKey: REEIQXYFELJYDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(3,4-dimethoxyphenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[2-(3,4-dimethoxyphenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(3,4-dimethoxyphenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5612964
• LogD (pH = 7.4): 0.56129646
• Log P: 0.56129646
• Molar Refractivity: 91.1741 cm^3
• Polarizability: 35.487255 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.42
• LOG S: -2.95
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4