5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C24H29N3O6 — CID 42840786

About 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840786) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840786
• Molecular Formula: C24H29N3O6
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.21
• IUPAC Name: 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COCCNC(=O)C1C(c2ccc(NC(=O)COC)cc2)OC(=O)N1Cc1ccc(C)cc1
• InChI: InChI=1S/C24H29N3O6/c1-16-4-6-17(7-5-16)14-27-21(23(29)25-12-13-31-2)22(33-24(27)30)18-8-10-19(11-9-18)26-20(28)15-32-3/h4-11,21-22H,12-15H2,1-3H3,(H,25,29)(H,26,28)
• InChIKey: JBNKZZMXEHXQLU-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840786) is 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COCCNC(=O)C1C(c2ccc(NC(=O)COC)cc2)OC(=O)N1Cc1ccc(C)cc1.

What is the InChIKey of 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is JBNKZZMXEHXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-16-4-6-17(7-5-16)14-27-21(23(29)25-12-13-31-2)22(33-24(27)30)18-8-10-19(11-9-18)26-20(28)15-32-3/h4-11,21-22H,12-15H2,1-3H3,(H,25,29)(H,26,28).

What are the key properties of 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).