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

C14H13NO4 — CID 1090004

IUPAC[2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-10-4-6-11(7-5-10)15-13(16)9-19-14(17)12-3-2-8-18-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyGHGLVMUTBCBTDI-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.38
Rot. Bonds4

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

[2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 1090004) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate
PubChem CID1090004
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-10-4-6-11(7-5-10)15-13(16)9-19-14(17)12-3-2-8-18-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyGHGLVMUTBCBTDI-UHFFFAOYSA-N
XLogP2.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate (CID 1090004) is [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is GHGLVMUTBCBTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10-4-6-11(7-5-10)15-13(16)9-19-14(17)12-3-2-8-18-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 1090004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).