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

C31H35N3O4 — CID 42841385

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

5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841385) has the molecular formula C31H35N3O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841385
• Molecular Formula: C31H35N3O4
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.26
• IUPAC Name: 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(C3OC(=O)N(Cc4ccccc4C)C3C(=O)NCCC(C)C)cc2)cc1
• InChI: InChI=1S/C31H35N3O4/c1-20(2)17-18-32-30(36)27-28(38-31(37)34(27)19-25-8-6-5-7-22(25)4)23-13-15-26(16-14-23)33-29(35)24-11-9-21(3)10-12-24/h5-16,20,27-28H,17-19H2,1-4H3,(H,32,36)(H,33,35)
• InChIKey: BGNJUTFYODKYMW-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841385) is 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(C(=O)Nc2ccc(C3OC(=O)N(Cc4ccccc4C)C3C(=O)NCCC(C)C)cc2)cc1.

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

The InChIKey is BGNJUTFYODKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-20(2)17-18-32-30(36)27-28(38-31(37)34(27)19-25-8-6-5-7-22(25)4)23-13-15-26(16-14-23)33-29(35)24-11-9-21(3)10-12-24/h5-16,20,27-28H,17-19H2,1-4H3,(H,32,36)(H,33,35).

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

5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 513.64 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).