8-[(5-methylfuran-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 847648
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1oc(cc1)C)CCC2)CCc1ccccc1
• Canonical SMILES: Cc1ccc(o1)CN1CCCC2(C1)CCC(=O)N(C2)CCc1ccccc1
• InChI: InChI=1S/C23H30N2O2/c1-19-8-9-21(27-19)16-24-14-5-12-23(17-24)13-10-22(26)25(18-23)15-11-20-6-3-2-4-7-20/h2-4,6-9H,5,10-18H2,1H3
• InChIKey: JSJLFZQXXYFFLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-methylfuran-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[(5-methylfuran-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(5-methyl-2-furyl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.31785804
• LogD (pH = 7.4): 2.061164
• Log P: 3.2280357
• Molar Refractivity: 108.517 cm^3
• Polarizability: 41.93017 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.89
• LOG S: -5.19
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5