2-benzyl-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 694924
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1oc(cc1)CCC)CC2)Cc1ccccc1
• Canonical SMILES: CCCc1ccc(o1)CN1CCC2(CC1)CCC(=O)N(C2)Cc1ccccc1
• InChI: InChI=1S/C24H32N2O2/c1-2-6-21-9-10-22(28-21)18-25-15-13-24(14-16-25)12-11-23(27)26(19-24)17-20-7-4-3-5-8-20/h3-5,7-10H,2,6,11-19H2,1H3
• InChIKey: DXWUUGIKDDWZLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-benzyl-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-9-[(5-propyl-2-furyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8011301
• LogD (pH = 7.4): 2.5336797
• Log P: 3.7505581
• Molar Refractivity: 113.041 cm^3
• Polarizability: 43.771187 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.28
• LOG S: -5.63
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6