ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate

C18H18Cl2N2O6 — CID 108733677

IUPACethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C18H18Cl2N2O6/c1-4-26-18(25)13-8(2)28-17(14(13)15(21)23)22-16(24)9(3)27-12-6-5-10(19)7-11(12)20/h5-7,9H,4H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyJFJDTGJWHVTEOX-UHFFFAOYSA-N
MW429.26 g/mol
LogP3.58
Rot. Bonds7

About ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate (PubChem CID 108733677) has the molecular formula C18H18Cl2N2O6 and a molecular weight of 429.26 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
PubChem CID108733677
Molecular FormulaC18H18Cl2N2O6
Molecular Weight429.26 g/mol
Exact Mass428.05
IUPAC Nameethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C18H18Cl2N2O6/c1-4-26-18(25)13-8(2)28-17(14(13)15(21)23)22-16(24)9(3)27-12-6-5-10(19)7-11(12)20/h5-7,9H,4H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyJFJDTGJWHVTEOX-UHFFFAOYSA-N
XLogP3.58
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 108739404
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
ethyl 5-carbamoyl-2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-4-methylthiophene-3-carboxylate
CID 1294689
ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 108757037
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate (CID 108733677) is ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
The InChIKey is JFJDTGJWHVTEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O6/c1-4-26-18(25)13-8(2)28-17(14(13)15(21)23)22-16(24)9(3)27-12-6-5-10(19)7-11(12)20/h5-7,9H,4H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate has a molecular weight of 429.26 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108733677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).