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

C21H23NO8 — CID 7601452

IUPACethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)COc2ccccc2C)oc(C)c1C(C)=O
InChIInChI=1S/C21H23NO8/c1-5-27-21(26)19-18(13(3)23)14(4)30-20(19)22-16(24)10-29-17(25)11-28-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyQCKIEVMDGRIHRO-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.84
Rot. Bonds9

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

ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate (PubChem CID 7601452) has the molecular formula C21H23NO8 and a molecular weight of 417.41 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
PubChem CID7601452
Molecular FormulaC21H23NO8
Molecular Weight417.41 g/mol
Exact Mass417.14
IUPAC Nameethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)COc2ccccc2C)oc(C)c1C(C)=O
InChIInChI=1S/C21H23NO8/c1-5-27-21(26)19-18(13(3)23)14(4)30-20(19)22-16(24)10-29-17(25)11-28-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyQCKIEVMDGRIHRO-UHFFFAOYSA-N
XLogP2.84
TPSA121.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
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4-acetyl-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108763332
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ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-acetyl-2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 7715939
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate (CID 7601452) is ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)COc2ccccc2C)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate?
The InChIKey is QCKIEVMDGRIHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO8/c1-5-27-21(26)19-18(13(3)23)14(4)30-20(19)22-16(24)10-29-17(25)11-28-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H,22,24).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate has a molecular weight of 417.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate is sourced from PubChem (CID 7601452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).