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

• ChemBase ID: 318266
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: C1(C(=O)NC(COC)C)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: COCC(NC(=O)C1(Cc2c(C1)cccc2)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C23H30N2O2/c1-18(17-27-3)24-22(26)23(15-20-11-7-8-12-21(20)16-23)25(2)14-13-19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3,(H,24,26)
• InChIKey: ONSAHSMRMMIODO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.551054
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0132936
• LogD (pH = 7.4): 2.777847
• Log P: 3.808557
• Molar Refractivity: 110.0087 cm^3
• Polarizability: 42.818142 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: 3.66
• LOG S: -5.0
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8