2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 554651
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: C1(N2C[C@@H](O[C@@H](C2)C)C)(C(=O)NCc2ccc(cc2)OC)Cc2c(C1)cccc2
• Canonical SMILES: COc1ccc(cc1)CNC(=O)C1(Cc2c(C1)cccc2)N1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C24H30N2O3/c1-17-15-26(16-18(2)29-17)24(12-20-6-4-5-7-21(20)13-24)23(27)25-14-19-8-10-22(28-3)11-9-19/h4-11,17-18H,12-16H2,1-3H3,(H,25,27)/t17-,18+
• InChIKey: CARIRQHQOQPCDH-HDICACEKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-1,3-dihydroindene-2-carboxamide
• Synonyms: 2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N-(4-methoxybenzyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.234838
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3314378
• LogD (pH = 7.4): 3.5186903
• Log P: 3.6072748
• Molar Refractivity: 114.1667 cm^3
• Polarizability: 44.663475 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.92
• LOG S: -3.97
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4