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

• ChemBase ID: 610993
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: C1(Cc2c(C1)cccc2)(C(=O)NCCOC)N(CCc1ccccc1)C
• Canonical SMILES: COCCNC(=O)C1(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• InChI: InChI=1S/C22H28N2O2/c1-24(14-12-18-8-4-3-5-9-18)22(21(25)23-13-15-26-2)16-19-10-6-7-11-20(19)17-22/h3-11H,12-17H2,1-2H3,(H,23,25)
• InChIKey: KSJSJZOFRHMZSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.596557
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59637403
• LogD (pH = 7.4): 2.360884
• Log P: 3.391982
• Molar Refractivity: 105.5899 cm^3
• Polarizability: 40.973095 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: 3.31
• LOG S: -4.6
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8