9-(2,6-dimethoxybenzoyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 519536
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: C(=O)(c1c(OC)cccc1OC)N1CCC2(OCC(=O)N(C2)C)CC1
• Canonical SMILES: COc1cccc(c1C(=O)N1CCC2(CC1)OCC(=O)N(C2)C)OC
• InChI: InChI=1S/C18H24N2O5/c1-19-12-18(25-11-15(19)21)7-9-20(10-8-18)17(22)16-13(23-2)5-4-6-14(16)24-3/h4-6H,7-12H2,1-3H3
• InChIKey: SEGRQRNWCYUPBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2,6-dimethoxybenzoyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(2,6-dimethoxybenzoyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(2,6-dimethoxybenzoyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.799921
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.21228164
• LogD (pH = 7.4): -0.2122816
• Log P: -0.2122816
• Molar Refractivity: 91.9525 cm^3
• Polarizability: 35.282726 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.56
• LOG S: -2.22
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 3