[2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate

C15H14N2O5 — CID 2550771

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C15H14N2O5/c1-10(18)16-11-4-6-12(7-5-11)17-14(19)9-22-15(20)13-3-2-8-21-13/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyGYKGIDKQIITCDK-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.03
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2550771) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate
PubChem CID2550771
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C15H14N2O5/c1-10(18)16-11-4-6-12(7-5-11)17-14(19)9-22-15(20)13-3-2-8-21-13/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyGYKGIDKQIITCDK-UHFFFAOYSA-N
XLogP2.03
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate (CID 2550771) is [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is GYKGIDKQIITCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-10(18)16-11-4-6-12(7-5-11)17-14(19)9-22-15(20)13-3-2-8-21-13/h2-8H,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2550771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).