3-ethyl-8-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 340057
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CC)CC2)cc2c(cc1OC)CCC2
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)c1cc2CCCc2cc1OC
• InChI: InChI=1S/C20H26N2O4/c1-3-21-13-20(26-19(21)24)7-9-22(10-8-20)18(23)16-11-14-5-4-6-15(14)12-17(16)25-2/h11-12H,3-10,13H2,1-2H3
• InChIKey: JVFNNUNOXUYLCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1032958
• LogD (pH = 7.4): 2.1032958
• Log P: 2.1032958
• Molar Refractivity: 98.2893 cm^3
• Polarizability: 37.369286 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.6
• LOG S: -4.03
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3