N-(4-methoxy-2-methylphenyl)-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}propanamide

• ChemBase ID: 387223
• Molecular Formular: C21H29N3O5
• Molecular Mass: 403.47206
• Monoisotopic Mass: 403.21072104
• SMILES: C1(=O)N(CC(=O)N2CC(CCC(=O)Nc3c(cc(cc3)OC)C)CCC2)CCO1
• Canonical SMILES: COc1ccc(c(c1)C)NC(=O)CCC1CCCN(C1)C(=O)CN1CCOC1=O
• InChI: InChI=1S/C21H29N3O5/c1-15-12-17(28-2)6-7-18(15)22-19(25)8-5-16-4-3-9-23(13-16)20(26)14-24-10-11-29-21(24)27/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3,(H,22,25)
• InChIKey: JXSCLUKVZGQKSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxy-2-methylphenyl)-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-(4-methoxy-2-methylphenyl)-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}propanamide
• Synonyms: N-(4-methoxy-2-methylphenyl)-3-{1-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.98801
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5575094
• LogD (pH = 7.4): 1.5575093
• Log P: 1.5575094
• Molar Refractivity: 108.8768 cm^3
• Polarizability: 41.457245 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.4
• LOG S: -3.67
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6