[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate

C24H24N2O5 — CID 46694494

About [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate (PubChem CID 46694494) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate.

Molecular Properties

• Compound Name: [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate
• PubChem CID: 46694494
• Molecular Formula: C24H24N2O5
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.17
• IUPAC Name: [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate
• SMILES: COC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(C)c(-n2cccc2)c1
• InChI: InChI=1S/C24H24N2O5/c1-17-10-11-19(15-21(17)26-12-6-7-13-26)23(28)31-16-22(27)25-20(24(29)30-2)14-18-8-4-3-5-9-18/h3-13,15,20H,14,16H2,1-2H3,(H,25,27)
• InChIKey: VRVFGJKFCFYAMH-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate?

The IUPAC name of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate (CID 46694494) is [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate.

What is the SMILES notation for [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate?

The canonical SMILES for [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate is COC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(C)c(-n2cccc2)c1.

What is the InChIKey of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate?

The InChIKey is VRVFGJKFCFYAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17-10-11-19(15-21(17)26-12-6-7-13-26)23(28)31-16-22(27)25-20(24(29)30-2)14-18-8-4-3-5-9-18/h3-13,15,20H,14,16H2,1-2H3,(H,25,27).

What are the key properties of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate?

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate has a molecular weight of 420.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate is sourced from PubChem (CID 46694494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).