N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide

C30H34N4O4 — CID 42841218

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

N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42841218) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841218
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)OC(c3cccc(NC(=O)Cc4ccccc4)c3)C2C(=O)NCCN(C)C)cc1
• InChI: InChI=1S/C30H34N4O4/c1-21-12-14-23(15-13-21)20-34-27(29(36)31-16-17-33(2)3)28(38-30(34)37)24-10-7-11-25(19-24)32-26(35)18-22-8-5-4-6-9-22/h4-15,19,27-28H,16-18,20H2,1-3H3,(H,31,36)(H,32,35)
• InChIKey: RFQMMLAUGWDMBT-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (CID 42841218) is N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)OC(c3cccc(NC(=O)Cc4ccccc4)c3)C2C(=O)NCCN(C)C)cc1.

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

The InChIKey is RFQMMLAUGWDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-21-12-14-23(15-13-21)20-34-27(29(36)31-16-17-33(2)3)28(38-30(34)37)24-10-7-11-25(19-24)32-26(35)18-22-8-5-4-6-9-22/h4-15,19,27-28H,16-18,20H2,1-3H3,(H,31,36)(H,32,35).

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

N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).