8-(2,6-dimethoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 701814
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1c(OC)cccc1OC)CC2)CC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)c1c(OC)cccc1OC
• InChI: InChI=1S/C18H24N2O5/c1-4-19-12-18(25-17(19)22)8-10-20(11-9-18)16(21)15-13(23-2)6-5-7-14(15)24-3/h5-7H,4,8-12H2,1-3H3
• InChIKey: PYSGTLLAQWPVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,6-dimethoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,6-dimethoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2,6-dimethoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.937939
• LogD (pH = 7.4): 0.93793905
• Log P: 0.93793905
• Molar Refractivity: 91.8713 cm^3
• Polarizability: 35.282726 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: 1.64
• LOG S: -3.14
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4