[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H19N3O7 — CID 30565474

IUPAC[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)oc(C)c1C(C)=O
InChIInChI=1S/C18H19N3O7/c1-5-26-18(25)15-14(10(3)22)11(4)28-16(15)21-13(23)8-27-17(24)12-7-19-9(2)6-20-12/h6-7H,5,8H2,1-4H3,(H,21,23)
InChIKeyUVIMWDJQJOGSCQ-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.86
Rot. Bonds7

About [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 30565474) has the molecular formula C18H19N3O7 and a molecular weight of 389.36 g/mol. Its IUPAC name is [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID30565474
Molecular FormulaC18H19N3O7
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)oc(C)c1C(C)=O
InChIInChI=1S/C18H19N3O7/c1-5-26-18(25)15-14(10(3)22)11(4)28-16(15)21-13(23)8-27-17(24)12-7-19-9(2)6-20-12/h6-7H,5,8H2,1-4H3,(H,21,23)
InChIKeyUVIMWDJQJOGSCQ-UHFFFAOYSA-N
XLogP1.86
TPSA137.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate with MolForge

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Related Compounds

ethyl 4-acetyl-5-methyl-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]furan-3-carboxylate
CID 108741025
ethyl 4-acetyl-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565435
ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8639630
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-acetyl-2-[[2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8639625
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
CID 8641258
ethyl 4-acetyl-2-[[2-(4-chloro-2-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 24501589
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-5-methyl-2-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 7715496
ethyl 4-acetyl-2-[[2-(2-bromo-4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 55393570
ethyl 4-acetyl-2-[[2-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8925586

Frequently Asked Questions

What is the IUPAC name of [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 30565474) is [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)oc(C)c1C(C)=O.
What is the InChIKey of [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is UVIMWDJQJOGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O7/c1-5-26-18(25)15-14(10(3)22)11(4)28-16(15)21-13(23)8-27-17(24)12-7-19-9(2)6-20-12/h6-7H,5,8H2,1-4H3,(H,21,23).
What are the key properties of [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 389.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 30565474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).