[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C17H20N2O6 — CID 2537155

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)C)c(C)c2c1
InChIInChI=1S/C17H20N2O6/c1-9(2)18-17(22)19-14(20)8-24-16(21)15-10(3)12-7-11(23-4)5-6-13(12)25-15/h5-7,9H,8H2,1-4H3,(H2,18,19,20,22)
InChIKeyBNWGOGOLDGCAFZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.14
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2537155) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2537155
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)C)c(C)c2c1
InChIInChI=1S/C17H20N2O6/c1-9(2)18-17(22)19-14(20)8-24-16(21)15-10(3)12-7-11(23-4)5-6-13(12)25-15/h5-7,9H,8H2,1-4H3,(H2,18,19,20,22)
InChIKeyBNWGOGOLDGCAFZ-UHFFFAOYSA-N
XLogP2.14
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2537155) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)C)c(C)c2c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is BNWGOGOLDGCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-9(2)18-17(22)19-14(20)8-24-16(21)15-10(3)12-7-11(23-4)5-6-13(12)25-15/h5-7,9H,8H2,1-4H3,(H2,18,19,20,22).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2537155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).