[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C14H15NO5 — CID 2362895

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)o1
InChIInChI=1S/C14H15NO5/c1-9-6-12(10(2)20-9)14(17)19-8-13(16)15-7-11-4-3-5-18-11/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyQHMSABWUEJDKBQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.96
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2362895) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2362895
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)o1
InChIInChI=1S/C14H15NO5/c1-9-6-12(10(2)20-9)14(17)19-8-13(16)15-7-11-4-3-5-18-11/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyQHMSABWUEJDKBQ-UHFFFAOYSA-N
XLogP1.96
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.96
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] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2362895) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)o1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is QHMSABWUEJDKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9-6-12(10(2)20-9)14(17)19-8-13(16)15-7-11-4-3-5-18-11/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.96, 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] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2362895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).