N-[(2R,3R)-2-ethoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 522085
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OCC)NC(=O)CN1C(=O)OCC1
• Canonical SMILES: CCO[C@H]1[C@H](NC(=O)CN2CCOC2=O)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C20H27N3O4/c1-2-26-18-17(22-16(24)13-23-11-12-27-19(23)25)14-5-3-4-6-15(14)20(18)7-9-21-10-8-20/h3-6,17-18,21H,2,7-13H2,1H3,(H,22,24)/t17-,18+/m1/s1
• InChIKey: PFGHZFAYKWUAJB-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.95767
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6628506
• LogD (pH = 7.4): -1.9627589
• Log P: 0.5563044
• Molar Refractivity: 99.872 cm^3
• Polarizability: 39.270275 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.73
• LOG S: -3.4
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5