N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethyl-1H-indole-2-carboxamide

• ChemBase ID: 856855
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N(C1Cc2c(C1)cccc2)C
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)N(C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C21H22N2O2/c1-22(17-10-14-6-4-5-7-15(14)11-17)21(24)20-13-16-12-18(25-3)8-9-19(16)23(20)2/h4-9,12-13,17H,10-11H2,1-3H3
• InChIKey: SLFLMKKKPZCHOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.468796
• LogD (pH = 7.4): 3.468796
• Log P: 3.468796
• Molar Refractivity: 99.6011 cm^3
• Polarizability: 38.90271 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.62
• LOG S: -3.88
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 3