[2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

C16H18N2O6 — CID 2553941

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC)c(C)c2c1
InChIInChI=1S/C16H18N2O6/c1-4-22-10-5-6-12-11(7-10)9(2)14(24-12)15(20)23-8-13(19)18-16(21)17-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyDQPNRUJBKRWERN-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.75
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2553941) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2553941
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC)c(C)c2c1
InChIInChI=1S/C16H18N2O6/c1-4-22-10-5-6-12-11(7-10)9(2)14(24-12)15(20)23-8-13(19)18-16(21)17-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyDQPNRUJBKRWERN-UHFFFAOYSA-N
XLogP1.75
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2553941) is [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC)c(C)c2c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is DQPNRUJBKRWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-4-22-10-5-6-12-11(7-10)9(2)14(24-12)15(20)23-8-13(19)18-16(21)17-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2553941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).