8-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 751621
• Molecular Formular: C21H32N2O3
• Molecular Mass: 360.49038
• Monoisotopic Mass: 360.24129289
• SMILES: N1(C(=O)CC2(C1)CCN(Cc1cc(c(cc1)OC)COCC)CC2)CC
• Canonical SMILES: CCOCc1cc(ccc1OC)CN1CCC2(CC1)CN(C(=O)C2)CC
• InChI: InChI=1S/C21H32N2O3/c1-4-23-16-21(13-20(23)24)8-10-22(11-9-21)14-17-6-7-19(25-3)18(12-17)15-26-5-2/h6-7,12H,4-5,8-11,13-16H2,1-3H3
• InChIKey: CACREOPWCBPGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[3-(ethoxymethyl)-4-methoxybenzyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0474566
• LogD (pH = 7.4): 0.71150416
• Log P: 1.7863387
• Molar Refractivity: 104.6893 cm^3
• Polarizability: 40.586742 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -3.91
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7