5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C29H31N3O4 — CID 42841197

About 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841197) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841197
• Molecular Formula: C29H31N3O4
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.23
• IUPAC Name: 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCN(CC)C(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(C)cc1
• InChI: InChI=1S/C29H31N3O4/c1-4-31(5-2)28(34)25-26(36-29(35)32(25)19-21-16-14-20(3)15-17-21)23-12-9-13-24(18-23)30-27(33)22-10-7-6-8-11-22/h6-18,25-26H,4-5,19H2,1-3H3,(H,30,33)
• InChIKey: CICZELLRWBLVPB-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841197) is 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCN(CC)C(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(C)cc1.

What is the InChIKey of 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is CICZELLRWBLVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-4-31(5-2)28(34)25-26(36-29(35)32(25)19-21-16-14-20(3)15-17-21)23-12-9-13-24(18-23)30-27(33)22-10-7-6-8-11-22/h6-18,25-26H,4-5,19H2,1-3H3,(H,30,33).

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

5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).