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

C21H22FNO7 — CID 8514453

IUPACethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2F)oc(C)c1C(C)=O
InChIInChI=1S/C21H22FNO7/c1-4-28-21(27)19-18(12(2)24)13(3)30-20(19)23-16(25)11-29-17(26)10-9-14-7-5-6-8-15(14)22/h5-8H,4,9-11H2,1-3H3,(H,23,25)
InChIKeyJVECORNMGOIIEH-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.22
Rot. Bonds9

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

ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 8514453) has the molecular formula C21H22FNO7 and a molecular weight of 419.41 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID8514453
Molecular FormulaC21H22FNO7
Molecular Weight419.41 g/mol
Exact Mass419.14
IUPAC Nameethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2F)oc(C)c1C(C)=O
InChIInChI=1S/C21H22FNO7/c1-4-28-21(27)19-18(12(2)24)13(3)30-20(19)23-16(25)11-29-17(26)10-9-14-7-5-6-8-15(14)22/h5-8H,4,9-11H2,1-3H3,(H,23,25)
InChIKeyJVECORNMGOIIEH-UHFFFAOYSA-N
XLogP3.22
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate with MolForge

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Related Compounds

ethyl 4-acetyl-2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 7715939
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CID 30565435
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
CID 27719821
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
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
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CID 108763529
ethyl 4-acetyl-2-[[2-(2,3-dihydro-1-benzothiophene-2-carbonyloxy)acetyl]amino]-5-methylfuran-3-carboxylate
CID 55488284
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate (CID 8514453) is ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2F)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is JVECORNMGOIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO7/c1-4-28-21(27)19-18(12(2)24)13(3)30-20(19)23-16(25)11-29-17(26)10-9-14-7-5-6-8-15(14)22/h5-8H,4,9-11H2,1-3H3,(H,23,25).
What are the key properties of ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 419.41 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 8514453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).