2-(3-methoxypropyl)-8-(7-methyl-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 830386
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: c1(oc2c(c1)cccc2C)C(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1cc2c(o1)c(C)ccc2
• InChI: InChI=1S/C22H28N2O4/c1-16-5-3-6-17-13-18(28-20(16)17)21(26)23-10-7-22(8-11-23)14-19(25)24(15-22)9-4-12-27-2/h3,5-6,13H,4,7-12,14-15H2,1-2H3
• InChIKey: HHRJYNOGDRJLRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-(7-methyl-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-(7-methyl-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-[(7-methyl-1-benzofuran-2-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3167427
• LogD (pH = 7.4): 1.316743
• Log P: 1.316743
• Molar Refractivity: 107.1596 cm^3
• Polarizability: 41.854656 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.18
• LOG S: -3.01
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5