8-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 675437
• Molecular Formular: C20H30N2O4
• Molecular Mass: 362.4632
• Monoisotopic Mass: 362.22055745
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1cc(c(cc1)OC)COCC)CC2)CC
• Canonical SMILES: CCOCc1cc(ccc1OC)CN1CCC2(CC1)CN(C(=O)O2)CC
• InChI: InChI=1S/C20H30N2O4/c1-4-22-15-20(26-19(22)23)8-10-21(11-9-20)13-16-6-7-18(24-3)17(12-16)14-25-5-2/h6-7,12H,4-5,8-11,13-15H2,1-3H3
• InChIKey: DISBLXFWEFNXSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[3-(ethoxymethyl)-4-methoxybenzyl]-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): -0.5587767
• LogD (pH = 7.4): 1.2113436
• Log P: 1.9715993
• Molar Refractivity: 101.3947 cm^3
• Polarizability: 39.444515 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.71
• LOG S: -3.15
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7