8-(4-methoxybutan-2-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 842622
• Molecular Formular: C20H30N2O3
• Molecular Mass: 346.4638
• Monoisotopic Mass: 346.22564283
• SMILES: C1(=O)N(CC2(O1)CCN(CC2)C(CCOC)C)CCc1ccccc1
• Canonical SMILES: COCCC(N1CCC2(CC1)OC(=O)N(C2)CCc1ccccc1)C
• InChI: InChI=1S/C20H30N2O3/c1-17(9-15-24-2)21-13-10-20(11-14-21)16-22(19(23)25-20)12-8-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3
• InChIKey: WMGXHLVUSMAEMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-methoxybutan-2-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(4-methoxybutan-2-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(3-methoxy-1-methylpropyl)-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): -1.0531042
• LogD (pH = 7.4): 0.40077832
• Log P: 2.2580984
• Molar Refractivity: 98.9499 cm^3
• Polarizability: 38.770493 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: 3.33
• LOG S: -3.56
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7