3-ethyl-8-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 493948
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1c(cc3c(c1)OCO3)OC)CC2)CC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)Cc1cc2OCOc2cc1OC
• InChI: InChI=1S/C18H24N2O5/c1-3-20-11-18(25-17(20)21)4-6-19(7-5-18)10-13-8-15-16(24-12-23-15)9-14(13)22-2/h8-9H,3-7,10-12H2,1-2H3
• InChIKey: XGKCLGLYSZSEFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-8-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-ethyl-8-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-ethyl-8-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.60547537
• LogD (pH = 7.4): 1.0217649
• Log P: 1.3622481
• Molar Refractivity: 90.8459 cm^3
• Polarizability: 35.738407 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.3
• LOG S: -2.7
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 4