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

C29H31N3O4 — CID 42840882

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

5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 42840882) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840882
• Molecular Formula: C29H31N3O4
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.23
• IUPAC Name: 5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(C3OC(=O)N(Cc4cccc(C)c4)C3C(=O)NC(C)C)cc2)cc1
• InChI: InChI=1S/C29H31N3O4/c1-18(2)30-28(34)25-26(36-29(35)32(25)17-21-7-5-6-20(4)16-21)22-12-14-24(15-13-22)31-27(33)23-10-8-19(3)9-11-23/h5-16,18,25-26H,17H2,1-4H3,(H,30,34)(H,31,33)
• InChIKey: GRVHCBVDYCDSGS-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	5.14
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]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 42840882) is 5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is Cc1ccc(C(=O)Nc2ccc(C3OC(=O)N(Cc4cccc(C)c4)C3C(=O)NC(C)C)cc2)cc1.

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

The InChIKey is GRVHCBVDYCDSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-18(2)30-28(34)25-26(36-29(35)32(25)17-21-7-5-6-20(4)16-21)22-12-14-24(15-13-22)31-27(33)23-10-8-19(3)9-11-23/h5-16,18,25-26H,17H2,1-4H3,(H,30,34)(H,31,33).

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

5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 5.14, 7 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]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).