[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C21H20N2O6 — CID 7552927

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7552927) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• PubChem CID: 7552927
• Molecular Formula: C21H20N2O6
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.13
• IUPAC Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• SMILES: CNC(=O)NC(=O)[C@H](OC(=O)c1oc2ccccc2c1COC)c1ccccc1
• InChI: InChI=1S/C21H20N2O6/c1-22-21(26)23-19(24)17(13-8-4-3-5-9-13)29-20(25)18-15(12-27-2)14-10-6-7-11-16(14)28-18/h3-11,17H,12H2,1-2H3,(H2,22,23,24,26)/t17-/m1/s1
• InChIKey: HACZCYJNWXKBLT-QGZVFWFLSA-N
• XLogP: 2.93
• TPSA: 106.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.40
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7552927) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is CNC(=O)NC(=O)[C@H](OC(=O)c1oc2ccccc2c1COC)c1ccccc1.

What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The InChIKey is HACZCYJNWXKBLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-22-21(26)23-19(24)17(13-8-4-3-5-9-13)29-20(25)18-15(12-27-2)14-10-6-7-11-16(14)28-18/h3-11,17H,12H2,1-2H3,(H2,22,23,24,26)/t17-/m1/s1.

What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7552927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).