N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(4-methylphenyl)acetamide

• ChemBase ID: 823768
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OC)NC(=O)Cc1ccc(cc1)C
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)Cc2ccc(cc2)C)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C23H28N2O2/c1-16-7-9-17(10-8-16)15-20(26)25-21-18-5-3-4-6-19(18)23(22(21)27-2)11-13-24-14-12-23/h3-10,21-22,24H,11-15H2,1-2H3,(H,25,26)/t21-,22+/m1/s1
• InChIKey: KZLMHALJWBHHCQ-YADHBBJMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(4-methylphenyl)acetamide
• Synonyms: N-[(2R*,3R*)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.478527
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2380587
• LogD (pH = 7.4): 0.46199906
• Log P: 2.9810987
• Molar Refractivity: 107.5317 cm^3
• Polarizability: 42.077015 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.51
• LOG S: -4.86
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4