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

• ChemBase ID: 357816
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: C1(N2C[C@H](O[C@H](C2)C)C)(C(=O)NC2CCCC2)Cc2c(C1)cccc2
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1(Cc2c(C1)cccc2)C(=O)NC1CCCC1
• InChI: InChI=1S/C21H30N2O2/c1-15-13-23(14-16(2)25-15)21(20(24)22-19-9-5-6-10-19)11-17-7-3-4-8-18(17)12-21/h3-4,7-8,15-16,19H,5-6,9-14H2,1-2H3,(H,22,24)/t15-,16+
• InChIKey: OSWXEBRAPDVVNO-IYBDPMFKSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.52385
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1414042
• LogD (pH = 7.4): 3.3108253
• Log P: 3.3951747
• Molar Refractivity: 99.5041 cm^3
• Polarizability: 39.191456 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.52
• LOG S: -3.88
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3