[2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate

C14H13NO4 — CID 2346231

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C14H13NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
InChIKeyKYYBWMIQPYMZNV-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.75
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate (PubChem CID 2346231) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate
PubChem CID2346231
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C14H13NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
InChIKeyKYYBWMIQPYMZNV-UHFFFAOYSA-N
XLogP1.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate (CID 2346231) is [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate?
The InChIKey is KYYBWMIQPYMZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate has a molecular weight of 259.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 2346231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).