diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate

C13H17NO6 — CID 108739453

IUPACdiethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(C)=O)c1C(=O)OCC
InChIInChI=1S/C13H17NO6/c1-5-18-12(16)9-7(3)20-11(14-8(4)15)10(9)13(17)19-6-2/h5-6H2,1-4H3,(H,14,15)
InChIKeyJYNKGXCDIUWHSY-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.90
Rot. Bonds5

About diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate

diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate (PubChem CID 108739453) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
PubChem CID108739453
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namediethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(C)=O)c1C(=O)OCC
InChIInChI=1S/C13H17NO6/c1-5-18-12(16)9-7(3)20-11(14-8(4)15)10(9)13(17)19-6-2/h5-6H2,1-4H3,(H,14,15)
InChIKeyJYNKGXCDIUWHSY-UHFFFAOYSA-N
XLogP1.90
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-methyl-5-[(2,2,2-trichloroacetyl)amino]furan-3,4-dicarboxylate
CID 108739417
diethyl 2-[(2-cyanoacetyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762117
diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate
CID 108739449
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
diethyl 2-(3,3-diphenylpropanoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739525
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
ethyl 4-acetyl-5-methyl-2-(phenylcarbamothioylamino)furan-3-carboxylate
CID 108782925
diethyl 2-methyl-5-(4-phenoxybutanoylamino)furan-3,4-dicarboxylate
CID 108762203

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate (CID 108739453) is diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(C)=O)c1C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate?
The InChIKey is JYNKGXCDIUWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-5-18-12(16)9-7(3)20-11(14-8(4)15)10(9)13(17)19-6-2/h5-6H2,1-4H3,(H,14,15).
What are the key properties of diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate?
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate has a molecular weight of 283.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108739453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).