9-(furan-2-ylmethyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 506213
• Molecular Formular: C18H28N2O3
• Molecular Mass: 320.42652
• Monoisotopic Mass: 320.20999277
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1occc1)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CCN(CC2)Cc2ccco2)CCC1=O
• InChI: InChI=1S/C18H28N2O3/c1-22-12-3-9-20-15-18(6-5-17(20)21)7-10-19(11-8-18)14-16-4-2-13-23-16/h2,4,13H,3,5-12,14-15H2,1H3
• InChIKey: FRVIVDJDDYBEPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(furan-2-ylmethyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(furan-2-ylmethyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(2-furylmethyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0360115
• LogD (pH = 7.4): -0.292272
• Log P: 0.8724168
• Molar Refractivity: 90.0626 cm^3
• Polarizability: 34.946888 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.34
• LOG S: -2.68
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6