3-methyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 542426
• Molecular Formular: C18H26N2O5
• Molecular Mass: 350.40944
• Monoisotopic Mass: 350.18417194
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1c(cc(cc1OC)OC)OC)CC2)C
• Canonical SMILES: COc1cc(OC)cc(c1CN1CCC2(CC1)OC(=O)N(C2)C)OC
• InChI: InChI=1S/C18H26N2O5/c1-19-12-18(25-17(19)21)5-7-20(8-6-18)11-14-15(23-3)9-13(22-2)10-16(14)24-4/h9-10H,5-8,11-12H2,1-4H3
• InChIKey: WFNTUFDQAWTTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-8-(2,4,6-trimethoxybenzyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.8023485
• LogD (pH = 7.4): 0.77898496
• Log P: 1.0668641
• Molar Refractivity: 93.2568 cm^3
• Polarizability: 36.45869 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.38
• LOG S: -1.93
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 5