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

• ChemBase ID: 669458
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: C1(C(=O)NC2CCNC2)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)NC1CCNC1)CCc1ccccc1
• InChI: InChI=1S/C23H29N3O/c1-26(14-12-18-7-3-2-4-8-18)23(22(27)25-21-11-13-24-17-21)15-19-9-5-6-10-20(19)16-23/h2-10,21,24H,11-17H2,1H3,(H,25,27)
• InChIKey: CWGAPYNSADUTOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.557921
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0052428
• LogD (pH = 7.4): -0.81958985
• Log P: 3.022756
• Molar Refractivity: 109.8374 cm^3
• Polarizability: 42.938076 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.97
• LOG S: -4.39
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6