ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

C20H22N2O6 — CID 1438767

IUPACethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H22N2O6/c1-5-27-20(24)15-10-17-14(8-12(2)28-17)22(15)11-19(23)21-13-6-7-16(25-3)18(9-13)26-4/h6-10H,5,11H2,1-4H3,(H,21,23)
InChIKeyHGVOEDNTVOEXAZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.38
Rot. Bonds7

About ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438767) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID1438767
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Nameethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H22N2O6/c1-5-27-20(24)15-10-17-14(8-12(2)28-17)22(15)11-19(23)21-13-6-7-16(25-3)18(9-13)26-4/h6-10H,5,11H2,1-4H3,(H,21,23)
InChIKeyHGVOEDNTVOEXAZ-UHFFFAOYSA-N
XLogP3.38
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516
ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438764
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438726
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl 4-ethyl-2-(4-methoxyphenyl)furo[3,2-b]pyrrole-5-carboxylate
CID 58814464
ethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate
CID 38012801
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 112521529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 1438767) is ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HGVOEDNTVOEXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-5-27-20(24)15-10-17-14(8-12(2)28-17)22(15)11-19(23)21-13-6-7-16(25-3)18(9-13)26-4/h6-10H,5,11H2,1-4H3,(H,21,23).
What are the key properties of ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).