diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate

C20H21Cl2NO7 — CID 108739404

IUPACdiethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C(=O)OCC
InChIInChI=1S/C20H21Cl2NO7/c1-5-27-19(25)15-10(3)30-18(16(15)20(26)28-6-2)23-17(24)11(4)29-14-8-7-12(21)9-13(14)22/h7-9,11H,5-6H2,1-4H3,(H,23,24)
InChIKeySRKFGBQKDQPQEZ-UHFFFAOYSA-N
MW458.29 g/mol
LogP4.65
Rot. Bonds8

About diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate

diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate (PubChem CID 108739404) has the molecular formula C20H21Cl2NO7 and a molecular weight of 458.29 g/mol. Its IUPAC name is diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate
PubChem CID108739404
Molecular FormulaC20H21Cl2NO7
Molecular Weight458.29 g/mol
Exact Mass457.07
IUPAC Namediethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C(=O)OCC
InChIInChI=1S/C20H21Cl2NO7/c1-5-27-19(25)15-10(3)30-18(16(15)20(26)28-6-2)23-17(24)11(4)29-14-8-7-12(21)9-13(14)22/h7-9,11H,5-6H2,1-4H3,(H,23,24)
InChIKeySRKFGBQKDQPQEZ-UHFFFAOYSA-N
XLogP4.65
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733677
ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108757120
methyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733889
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4248539
diethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 2787716
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-benzothiophene-3-carboxylate
CID 5128620
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1291639
methyl (2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylpentanoate
CID 7324378
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
methyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7289997
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate (CID 108739404) is diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C(=O)OCC.
What is the InChIKey of diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate?
The InChIKey is SRKFGBQKDQPQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO7/c1-5-27-19(25)15-10(3)30-18(16(15)20(26)28-6-2)23-17(24)11(4)29-14-8-7-12(21)9-13(14)22/h7-9,11H,5-6H2,1-4H3,(H,23,24).
What are the key properties of diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate?
diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate has a molecular weight of 458.29 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108739404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).