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

C18H18N2O6 — CID 3245456

IUPACmethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H18N2O6/c1-23-14-5-4-11(8-16(14)24-2)19-17(21)10-20-12-6-7-26-15(12)9-13(20)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyYZGKKEZTEKYAAK-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.68
Rot. Bonds6

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

methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3245456) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID3245456
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namemethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H18N2O6/c1-23-14-5-4-11(8-16(14)24-2)19-17(21)10-20-12-6-7-26-15(12)9-13(20)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyYZGKKEZTEKYAAK-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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 3245456) is methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is YZGKKEZTEKYAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-23-14-5-4-11(8-16(14)24-2)19-17(21)10-20-12-6-7-26-15(12)9-13(20)18(22)25-3/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of methyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3,4-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-(3,4-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3245456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).