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

• ChemBase ID: 662159
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)CCOCC)CC2)CCc1ccccc1
• Canonical SMILES: CCOCCC(=O)N1CCC2(CC1)OC(=O)N(C2)CCc1ccccc1
• InChI: InChI=1S/C20H28N2O4/c1-2-25-15-9-18(23)21-13-10-20(11-14-21)16-22(19(24)26-20)12-8-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3
• InChIKey: AMXDAIXNUSFEBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-ethoxypropanoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(3-ethoxypropanoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(3-ethoxypropanoyl)-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): 1.4751326
• LogD (pH = 7.4): 1.4751327
• Log P: 1.4751327
• Molar Refractivity: 98.7948 cm^3
• Polarizability: 38.469177 Å^3
• Polar Surface Area: 59.08 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: 2.7
• LOG S: -4.13
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7