3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide

C33H31N3O4 — CID 46021220

About 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide

3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 46021220) has the molecular formula C33H31N3O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021220
• Molecular Formula: C33H31N3O4
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.23
• IUPAC Name: 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
• SMILES: CC(NC(=O)C1C(c2cccc(NC(=O)Cc3ccccc3)c2)OC(=O)N1Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H31N3O4/c1-23(26-16-9-4-10-17-26)34-32(38)30-31(40-33(39)36(30)22-25-14-7-3-8-15-25)27-18-11-19-28(21-27)35-29(37)20-24-12-5-2-6-13-24/h2-19,21,23,30-31H,20,22H2,1H3,(H,34,38)(H,35,37)
• InChIKey: RQQMGFCRLOIJDE-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide (CID 46021220) is 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide is CC(NC(=O)C1C(c2cccc(NC(=O)Cc3ccccc3)c2)OC(=O)N1Cc1ccccc1)c1ccccc1.

What is the InChIKey of 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide?

The InChIKey is RQQMGFCRLOIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O4/c1-23(26-16-9-4-10-17-26)34-32(38)30-31(40-33(39)36(30)22-25-14-7-3-8-15-25)27-18-11-19-28(21-27)35-29(37)20-24-12-5-2-6-13-24/h2-19,21,23,30-31H,20,22H2,1H3,(H,34,38)(H,35,37).

What are the key properties of 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide?

3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 5.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).