N-(2-methoxy-2-methylpropyl)-2-[methyl(2-phenylethyl)amino]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 614007
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: C1(C(=O)NCC(OC)(C)C)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: COC(CNC(=O)C1(Cc2c(C1)cccc2)N(CCc1ccccc1)C)(C)C
• InChI: InChI=1S/C24H32N2O2/c1-23(2,28-4)18-25-22(27)24(16-20-12-8-9-13-21(20)17-24)26(3)15-14-19-10-6-5-7-11-19/h5-13H,14-18H2,1-4H3,(H,25,27)
• InChIKey: HWOILSXVMLHECH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-2-methylpropyl)-2-[methyl(2-phenylethyl)amino]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-(2-methoxy-2-methylpropyl)-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
• Synonyms: N-(2-methoxy-2-methylpropyl)-2-[methyl(2-phenylethyl)amino]-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.631035
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.293538
• LogD (pH = 7.4): 3.0580494
• Log P: 4.0891337
• Molar Refractivity: 114.6469 cm^3
• Polarizability: 44.663345 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.01
• LOG S: -5.4
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8