N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide

C32H36N4O4 — CID 42841219

About N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide

N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide (PubChem CID 42841219) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
• PubChem CID: 42841219
• Molecular Formula: C32H36N4O4
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.27
• IUPAC Name: N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
• SMILES: CCN1CCN(C(=O)C2C(c3cccc(NC(=O)Cc4ccccc4)c3)OC(=O)N2Cc2ccc(C)cc2)CC1
• InChI: InChI=1S/C32H36N4O4/c1-3-34-16-18-35(19-17-34)31(38)29-30(40-32(39)36(29)22-25-14-12-23(2)13-15-25)26-10-7-11-27(21-26)33-28(37)20-24-8-5-4-6-9-24/h4-15,21,29-30H,3,16-20,22H2,1-2H3,(H,33,37)
• InChIKey: JHHFTXKCHKZZKG-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?

The IUPAC name of N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide (CID 42841219) is N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide.

What is the SMILES notation for N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?

The canonical SMILES for N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide is CCN1CCN(C(=O)C2C(c3cccc(NC(=O)Cc4ccccc4)c3)OC(=O)N2Cc2ccc(C)cc2)CC1.

What is the InChIKey of N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?

The InChIKey is JHHFTXKCHKZZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-3-34-16-18-35(19-17-34)31(38)29-30(40-32(39)36(29)22-25-14-12-23(2)13-15-25)26-10-7-11-27(21-26)33-28(37)20-24-8-5-4-6-9-24/h4-15,21,29-30H,3,16-20,22H2,1-2H3,(H,33,37).

What are the key properties of N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?

N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide has a molecular weight of 540.66 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42841219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).