diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate

C19H21NO6 — CID 108739398

IUPACdiethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cccc(C)c2)c1C(=O)OCC
InChIInChI=1S/C19H21NO6/c1-5-24-18(22)14-12(4)26-17(15(14)19(23)25-6-2)20-16(21)13-9-7-8-11(3)10-13/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKeyOECWBTDTDFXSRS-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.50
Rot. Bonds6

About diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate

diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate (PubChem CID 108739398) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
PubChem CID108739398
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namediethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cccc(C)c2)c1C(=O)OCC
InChIInChI=1S/C19H21NO6/c1-5-24-18(22)14-12(4)26-17(15(14)19(23)25-6-2)20-16(21)13-9-7-8-11(3)10-13/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKeyOECWBTDTDFXSRS-UHFFFAOYSA-N
XLogP3.50
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
diethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762099
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
CID 126122147
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
diethyl 2-(3,3-diphenylpropanoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739525
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate?
The IUPAC name of diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate (CID 108739398) is diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)c2cccc(C)c2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate?
The InChIKey is OECWBTDTDFXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-5-24-18(22)14-12(4)26-17(15(14)19(23)25-6-2)20-16(21)13-9-7-8-11(3)10-13/h7-10H,5-6H2,1-4H3,(H,20,21).
What are the key properties of diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate?
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate has a molecular weight of 359.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate is sourced from PubChem (CID 108739398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).