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

C18H22N2O6 — CID 2555902

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C18H22N2O6/c1-4-8-19-18(23)20-15(21)10-25-17(22)16-11(3)13-9-12(24-5-2)6-7-14(13)26-16/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyQHUKDQLIMJRWRU-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.53
Rot. Bonds7

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

[2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2555902) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2555902
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C18H22N2O6/c1-4-8-19-18(23)20-15(21)10-25-17(22)16-11(3)13-9-12(24-5-2)6-7-14(13)26-16/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyQHUKDQLIMJRWRU-UHFFFAOYSA-N
XLogP2.53
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.53
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-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2555902) is [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is QHUKDQLIMJRWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-4-8-19-18(23)20-15(21)10-25-17(22)16-11(3)13-9-12(24-5-2)6-7-14(13)26-16/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 2.53, 7 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-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2555902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).