[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C16H13NO5 — CID 7193982

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NCc1ccco1
InChIInChI=1S/C16H13NO5/c18-15(17-9-12-5-3-7-20-12)10-21-16(19)14-8-11-4-1-2-6-13(11)22-14/h1-8H,9-10H2,(H,17,18)
InChIKeyDIJHPQUBITVKDW-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.50
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193982) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7193982
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NCc1ccco1
InChIInChI=1S/C16H13NO5/c18-15(17-9-12-5-3-7-20-12)10-21-16(19)14-8-11-4-1-2-6-13(11)22-14/h1-8H,9-10H2,(H,17,18)
InChIKeyDIJHPQUBITVKDW-UHFFFAOYSA-N
XLogP2.50
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7193982) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is DIJHPQUBITVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-15(17-9-12-5-3-7-20-12)10-21-16(19)14-8-11-4-1-2-6-13(11)22-14/h1-8H,9-10H2,(H,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).