methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C18H18N2O6 — CID 3240031

IUPACmethyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H18N2O6/c1-23-12-6-11(7-13(8-12)24-2)19-17(21)10-20-14-4-5-26-16(14)9-15(20)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyZKMJTCOZCCBNHH-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.68
Rot. Bonds6

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

methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3240031) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID3240031
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namemethyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H18N2O6/c1-23-12-6-11(7-13(8-12)24-2)19-17(21)10-20-14-4-5-26-16(14)9-15(20)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyZKMJTCOZCCBNHH-UHFFFAOYSA-N
XLogP2.68
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-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

Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-furo[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (31)
CID 124155030
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
2,4-Dimethyl-5-furo[3,2-b]pyrrolecarboxylic acid [3-methyl-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl] ester
CID 3228603
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
1-[2-(2-Methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3238241
Methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 3239201
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
Methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3242150

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 3240031) is methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZKMJTCOZCCBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-23-12-6-11(7-13(8-12)24-2)19-17(21)10-20-14-4-5-26-16(14)9-15(20)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3240031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).