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

• ChemBase ID: 671398
• Molecular Formular: C22H28N2O
• Molecular Mass: 336.47052
• Monoisotopic Mass: 336.22016353
• SMILES: C1(C(=O)NC(C)C)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: CC(NC(=O)C1(Cc2c(C1)cccc2)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C22H28N2O/c1-17(2)23-21(25)22(15-19-11-7-8-12-20(19)16-22)24(3)14-13-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3,(H,23,25)
• InChIKey: ZBAOPGUDERCJFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.705345
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4170235
• LogD (pH = 7.4): 3.1815708
• Log P: 4.2123404
• Molar Refractivity: 103.7138 cm^3
• Polarizability: 40.309162 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.04
• LOG S: -5.1
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6