[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate

C15H15NO4 — CID 26984386

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1ccoc1
InChIInChI=1S/C15H15NO4/c1-10-4-3-5-11(2)14(10)16-13(17)9-20-15(18)12-6-7-19-8-12/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyHXBJSQOLMCLEMY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.69
Rot. Bonds4

About [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate

[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate (PubChem CID 26984386) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate
PubChem CID26984386
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1ccoc1
InChIInChI=1S/C15H15NO4/c1-10-4-3-5-11(2)14(10)16-13(17)9-20-15(18)12-6-7-19-8-12/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyHXBJSQOLMCLEMY-UHFFFAOYSA-N
XLogP2.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 3-aminobenzoate
CID 23943551
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386525
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-nitrobenzoate
CID 2502022
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2409973
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2606025
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] furan-3-carboxylate
CID 46649127
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986176
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2509700

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate (CID 26984386) is [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate is Cc1cccc(C)c1NC(=O)COC(=O)c1ccoc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate?
The InChIKey is HXBJSQOLMCLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-4-3-5-11(2)14(10)16-13(17)9-20-15(18)12-6-7-19-8-12/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate?
[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 26984386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).