4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

C20H24N2O6 — CID 6915456

IUPAC4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)OC(C)C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C20H24N2O6/c1-6-27-19(24)16-11(2)17(21-12(16)3)20(25)28-13(4)18(23)22-14-9-7-8-10-15(14)26-5/h7-10,13,21H,6H2,1-5H3,(H,22,23)
InChIKeyIWCISTCVQOPYTQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.00
Rot. Bonds7

About 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (PubChem CID 6915456) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
PubChem CID6915456
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)OC(C)C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C20H24N2O6/c1-6-27-19(24)16-11(2)17(21-12(16)3)20(25)28-13(4)18(23)22-14-9-7-8-10-15(14)26-5/h7-10,13,21H,6H2,1-5H3,(H,22,23)
InChIKeyIWCISTCVQOPYTQ-UHFFFAOYSA-N
XLogP3.00
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CID 6915456) is 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)OC(C)C(=O)Nc2ccccc2OC)c1C.
What is the InChIKey of 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is IWCISTCVQOPYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-6-27-19(24)16-11(2)17(21-12(16)3)20(25)28-13(4)18(23)22-14-9-7-8-10-15(14)26-5/h7-10,13,21H,6H2,1-5H3,(H,22,23).
What are the key properties of 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 388.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O-[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 6915456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).