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

C18H19ClN2O6 — CID 108757120

IUPACethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C18H19ClN2O6/c1-4-25-18(24)13-9(2)27-17(14(13)15(20)22)21-16(23)10(3)26-12-7-5-11(19)6-8-12/h5-8,10H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyHMGPTMAEOBTVCR-UHFFFAOYSA-N
MW394.81 g/mol
LogP2.92
Rot. Bonds7

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

ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate (PubChem CID 108757120) has the molecular formula C18H19ClN2O6 and a molecular weight of 394.81 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
PubChem CID108757120
Molecular FormulaC18H19ClN2O6
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC Nameethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C18H19ClN2O6/c1-4-25-18(24)13-9(2)27-17(14(13)15(20)22)21-16(23)10(3)26-12-7-5-11(19)6-8-12/h5-8,10H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyHMGPTMAEOBTVCR-UHFFFAOYSA-N
XLogP2.92
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylfuran-3-carboxylate
CID 8552683
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
ethyl 4-carbamoyl-5-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9201262
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
CID 34584016

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate (CID 108757120) is ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)C(C)Oc2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
The InChIKey is HMGPTMAEOBTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6/c1-4-25-18(24)13-9(2)27-17(14(13)15(20)22)21-16(23)10(3)26-12-7-5-11(19)6-8-12/h5-8,10H,4H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate has a molecular weight of 394.81 g/mol, XLogP of 2.92, 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-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108757120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).