8-(2-ethoxyethyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 755570
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: C1(=O)N(CC2(O1)CCN(CC2)CCOCC)CCc1ccccc1
• Canonical SMILES: CCOCCN1CCC2(CC1)OC(=O)N(C2)CCc1ccccc1
• InChI: InChI=1S/C19H28N2O3/c1-2-23-15-14-20-12-9-19(10-13-20)16-21(18(22)24-19)11-8-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3
• InChIKey: VBLJQQGHHZQULE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-ethoxyethyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-ethoxyethyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2-ethoxyethyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.72894746
• LogD (pH = 7.4): 1.0239356
• Log P: 2.1383717
• Molar Refractivity: 94.4143 cm^3
• Polarizability: 36.929264 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: 3.03
• LOG S: -3.2
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7