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

• ChemBase ID: 774430
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: C1(N2C[C@H](O[C@H](C2)C)C)(C(=O)N[C@@H]2CC[C@H](CC2)O)Cc2c(C1)cccc2
• Canonical SMILES: O[C@@H]1CC[C@H](CC1)NC(=O)C1(Cc2c(C1)cccc2)N1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C22H32N2O3/c1-15-13-24(14-16(2)27-15)22(11-17-5-3-4-6-18(17)12-22)21(26)23-19-7-9-20(25)10-8-19/h3-6,15-16,19-20,25H,7-14H2,1-2H3,(H,23,26)/t15-,16+,19-,20-
• InChIKey: RDULITCRRFWPDE-BBBCSSEGSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.040736
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1992543
• LogD (pH = 7.4): 2.3686755
• Log P: 2.4530249
• Molar Refractivity: 105.7746 cm^3
• Polarizability: 41.649254 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.0
• LOG S: -3.57
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3