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

C20H20FNO7 — CID 7698539

IUPACethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cc2ccc(F)cc2)oc(C)c1C(C)=O
InChIInChI=1S/C20H20FNO7/c1-4-27-20(26)18-17(11(2)23)12(3)29-19(18)22-15(24)10-28-16(25)9-13-5-7-14(21)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,22,24)
InChIKeyIFFHZBRDGWGBRU-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.83
Rot. Bonds8

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

ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 7698539) has the molecular formula C20H20FNO7 and a molecular weight of 405.38 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID7698539
Molecular FormulaC20H20FNO7
Molecular Weight405.38 g/mol
Exact Mass405.12
IUPAC Nameethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cc2ccc(F)cc2)oc(C)c1C(C)=O
InChIInChI=1S/C20H20FNO7/c1-4-27-20(26)18-17(11(2)23)12(3)29-19(18)22-15(24)10-28-16(25)9-13-5-7-14(21)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,22,24)
InChIKeyIFFHZBRDGWGBRU-UHFFFAOYSA-N
XLogP2.83
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate (CID 7698539) is ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)Cc2ccc(F)cc2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is IFFHZBRDGWGBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO7/c1-4-27-20(26)18-17(11(2)23)12(3)29-19(18)22-15(24)10-28-16(25)9-13-5-7-14(21)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,22,24).
What are the key properties of ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 405.38 g/mol, XLogP of 2.83, 8 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-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 7698539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).