8-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 408326
• Molecular Formular: C19H22N2O5
• Molecular Mass: 358.38838
• Monoisotopic Mass: 358.15287181
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)N1CCC2(OC(=O)N(C2)C)CC1
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)N1CCC2(CC1)OC(=O)N(C2)C
• InChI: InChI=1S/C19H22N2O5/c1-12-14-5-4-13(24-3)10-15(14)25-16(12)17(22)21-8-6-19(7-9-21)11-20(2)18(23)26-19/h4-5,10H,6-9,11H2,1-3H3
• InChIKey: RRDUWLIOOXNCHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(6-methoxy-3-methyl-1-benzofuran-2-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): 1.3313483
• LogD (pH = 7.4): 1.3313483
• Log P: 1.3313483
• Molar Refractivity: 94.4193 cm^3
• Polarizability: 37.032745 Å^3
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.07
• LOG S: -2.73
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 2