4-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}propoxy)benzamide

• ChemBase ID: 624407
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: C12(C(=O)N(CCC2)C)CN(CC1)CCCOc1ccc(C(=O)N)cc1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)CCCOc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C19H27N3O3/c1-21-10-2-8-19(18(21)24)9-12-22(14-19)11-3-13-25-16-6-4-15(5-7-16)17(20)23/h4-7H,2-3,8-14H2,1H3,(H2,20,23)
• InChIKey: IGWYJCLSGIOVMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}propoxy)benzamide
• IUPAC Traditional name: 4-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}propoxy)benzamide
• Synonyms: 4-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)propoxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.619187
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7401116
• LogD (pH = 7.4): -1.6685958
• Log P: 0.69672817
• Molar Refractivity: 97.097 cm^3
• Polarizability: 37.22047 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.32
• LOG S: -2.85
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6