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

C17H20N2O6 — CID 7186892

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C17H20N2O6/c1-4-7-18-17(22)19-14(20)9-24-16(21)15-10(2)12-8-11(23-3)5-6-13(12)25-15/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,20,22)
InChIKeyTZWZUYATVMENLY-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.14
Rot. Bonds6

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

[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7186892) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7186892
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C17H20N2O6/c1-4-7-18-17(22)19-14(20)9-24-16(21)15-10(2)12-8-11(23-3)5-6-13(12)25-15/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,20,22)
InChIKeyTZWZUYATVMENLY-UHFFFAOYSA-N
XLogP2.14
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7186892) is [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is TZWZUYATVMENLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-4-7-18-17(22)19-14(20)9-24-16(21)15-10(2)12-8-11(23-3)5-6-13(12)25-15/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,20,22).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7186892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).