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

C20H19F2NO8 — CID 30565483

IUPACethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)oc(C)c1C(C)=O
InChIInChI=1S/C20H19F2NO8/c1-4-28-19(27)16-15(10(2)24)11(3)30-17(16)23-14(25)9-29-18(26)12-6-5-7-13(8-12)31-20(21)22/h5-8,20H,4,9H2,1-3H3,(H,23,25)
InChIKeyJBQMQMFCNKOEKS-UHFFFAOYSA-N
MW439.37 g/mol
LogP3.36
Rot. Bonds9

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

ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 30565483) has the molecular formula C20H19F2NO8 and a molecular weight of 439.37 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID30565483
Molecular FormulaC20H19F2NO8
Molecular Weight439.37 g/mol
Exact Mass439.11
IUPAC Nameethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)oc(C)c1C(C)=O
InChIInChI=1S/C20H19F2NO8/c1-4-28-19(27)16-15(10(2)24)11(3)30-17(16)23-14(25)9-29-18(26)12-6-5-7-13(8-12)31-20(21)22/h5-8,20H,4,9H2,1-3H3,(H,23,25)
InChIKeyJBQMQMFCNKOEKS-UHFFFAOYSA-N
XLogP3.36
TPSA121.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945
ethyl 4-acetyl-2-[[2-(4-chloro-2-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 24501589
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
[2-(3-methylanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512864
ethyl 4-acetyl-2-[[2-(2-bromo-4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 55393570
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-acetyl-2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 7715939
ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
CID 8641258
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
ethyl 4-acetyl-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565435

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate (CID 30565483) is ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is JBQMQMFCNKOEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO8/c1-4-28-19(27)16-15(10(2)24)11(3)30-17(16)23-14(25)9-29-18(26)12-6-5-7-13(8-12)31-20(21)22/h5-8,20H,4,9H2,1-3H3,(H,23,25).
What are the key properties of ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 439.37 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 30565483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).