ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate

C20H23NO6 — CID 108802798

IUPACethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCOc2ccc(C)cc2)oc(C)c1C(C)=O
InChIInChI=1S/C20H23NO6/c1-5-25-20(24)18-17(13(3)22)14(4)27-19(18)21-16(23)10-11-26-15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,23)
InChIKeySHCIHAQGYPEJLR-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.68
Rot. Bonds8

About ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate

ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate (PubChem CID 108802798) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate
PubChem CID108802798
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Nameethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCOc2ccc(C)cc2)oc(C)c1C(C)=O
InChIInChI=1S/C20H23NO6/c1-5-25-20(24)18-17(13(3)22)14(4)27-19(18)21-16(23)10-11-26-15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,23)
InChIKeySHCIHAQGYPEJLR-UHFFFAOYSA-N
XLogP3.68
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-acetyl-2-[4-(4-methoxyphenoxy)butanoylamino]-5-methylfuran-3-carboxylate
CID 108763637
diethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 108762202
ethyl 4-acetyl-5-methyl-2-(4-naphthalen-2-yloxybutanoylamino)furan-3-carboxylate
CID 108763630
diethyl 2-methyl-5-(4-phenoxybutanoylamino)furan-3,4-dicarboxylate
CID 108762203
ethyl 4-acetyl-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565435
ethyl 4-acetyl-5-methyl-2-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 7715496
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate
CID 108741027
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
ethyl 4-acetyl-5-methyl-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]furan-3-carboxylate
CID 108741025
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-acetyl-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-5-methylfuran-3-carboxylate
CID 8600996

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate (CID 108802798) is ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate is CCOC(=O)c1c(NC(=O)CCOc2ccc(C)cc2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate?
The InChIKey is SHCIHAQGYPEJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-5-25-20(24)18-17(13(3)22)14(4)27-19(18)21-16(23)10-11-26-15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,23).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate is sourced from PubChem (CID 108802798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).