ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate

C19H20N2O6 — CID 108763529

IUPACethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CNC(=O)c2ccccc2)oc(C)c1C(C)=O
InChIInChI=1S/C19H20N2O6/c1-4-26-19(25)16-15(11(2)22)12(3)27-18(16)21-14(23)10-20-17(24)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyAHFFIIVNYVUAMM-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.34
Rot. Bonds7

About ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate (PubChem CID 108763529) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
PubChem CID108763529
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Nameethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CNC(=O)c2ccccc2)oc(C)c1C(C)=O
InChIInChI=1S/C19H20N2O6/c1-4-26-19(25)16-15(11(2)22)12(3)27-18(16)21-14(23)10-20-17(24)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyAHFFIIVNYVUAMM-UHFFFAOYSA-N
XLogP2.34
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 108757037
ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
CID 8641258
ethyl 4-acetyl-5-methyl-2-(phenylcarbamothioylamino)furan-3-carboxylate
CID 108782925
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8920771
diethyl 2-(3,3-diphenylpropanoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739525
ethyl 4-acetyl-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-5-methylfuran-3-carboxylate
CID 8600996
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
ethyl 4-acetyl-2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 7715939

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate (CID 108763529) is ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)CNC(=O)c2ccccc2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate?
The InChIKey is AHFFIIVNYVUAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-4-26-19(25)16-15(11(2)22)12(3)27-18(16)21-14(23)10-20-17(24)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 108763529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).