[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C16H17NO4 — CID 8967009

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H17NO4/c1-3-12-5-4-6-13(9-12)17-15(18)10-21-16(19)14-7-8-20-11(14)2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyABYZSTLINYAHMG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.95
Rot. Bonds5

About [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 8967009) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID8967009
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H17NO4/c1-3-12-5-4-6-13(9-12)17-15(18)10-21-16(19)14-7-8-20-11(14)2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyABYZSTLINYAHMG-UHFFFAOYSA-N
XLogP2.95
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966209
[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662936
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756
[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 38530845
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501317
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylfuran-3-carboxylate
CID 3900377
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 8630914

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 8967009) is [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is CCc1cccc(NC(=O)COC(=O)c2ccoc2C)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is ABYZSTLINYAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-12-5-4-6-13(9-12)17-15(18)10-21-16(19)14-7-8-20-11(14)2/h4-9H,3,10H2,1-2H3,(H,17,18).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8967009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).