[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C16H16N2O5 — CID 7844551

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(C)o1
InChIInChI=1S/C16H16N2O5/c1-9-7-12(10(2)23-9)16(21)22-8-14(19)18-13-6-4-3-5-11(13)15(17)20/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLNSKUFOCJRBAFA-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.79
Rot. Bonds5

About [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 7844551) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID7844551
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(C)o1
InChIInChI=1S/C16H16N2O5/c1-9-7-12(10(2)23-9)16(21)22-8-14(19)18-13-6-4-3-5-11(13)15(17)20/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLNSKUFOCJRBAFA-UHFFFAOYSA-N
XLogP1.79
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 4148887
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8860848
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861610
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
[2-(2,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435715
[2-(2,6-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2361469
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2351220
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531511
[2-(3,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584847
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 9492099
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584947

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 7844551) is [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(C)o1.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is LNSKUFOCJRBAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-9-7-12(10(2)23-9)16(21)22-8-14(19)18-13-6-4-3-5-11(13)15(17)20/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7844551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).