[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C17H15NO5 — CID 2653253

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NCc2ccco2)oc2ccccc12
InChIInChI=1S/C17H15NO5/c1-11-13-6-2-3-7-14(13)23-16(11)17(20)22-10-15(19)18-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyCXBHVPVOSUTJCK-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.81
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2653253) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2653253
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NCc2ccco2)oc2ccccc12
InChIInChI=1S/C17H15NO5/c1-11-13-6-2-3-7-14(13)23-16(11)17(20)22-10-15(19)18-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyCXBHVPVOSUTJCK-UHFFFAOYSA-N
XLogP2.81
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.81
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] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2653253) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)NCc2ccco2)oc2ccccc12.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is CXBHVPVOSUTJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-11-13-6-2-3-7-14(13)23-16(11)17(20)22-10-15(19)18-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.81, 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] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2653253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).