2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

C20H24N2O6 — CID 2601328

IUPAC2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(OC)cc2)c1C
InChIInChI=1S/C20H24N2O6/c1-5-27-20(25)18-12(2)17(13(3)22-18)19(24)28-11-16(23)21-10-14-6-8-15(26-4)9-7-14/h6-9,22H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyYEIROUIFHNYLDZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.29
Rot. Bonds8

About 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (PubChem CID 2601328) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
PubChem CID2601328
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(OC)cc2)c1C
InChIInChI=1S/C20H24N2O6/c1-5-27-20(25)18-12(2)17(13(3)22-18)19(24)28-11-16(23)21-10-14-6-8-15(26-4)9-7-14/h6-9,22H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyYEIROUIFHNYLDZ-UHFFFAOYSA-N
XLogP2.29
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate with MolForge

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Related Compounds

2-Benzyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 4604107
ethyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5240566
4-acetyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866996
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2429118
4-O-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2430126
2-O-[2-(ethylamino)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2560898
(2-methoxy-5-methylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7626706
ethyl 4-[2-[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7999665
ethyl 4-[(4-methoxyphenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5308884
ethyl 4-{[(2-furylmethyl)amino]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16195769
4-Acetyl-N-[3-(2-Amino-2-Oxoethoxy)phenyl]-3-Ethyl-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 71940129

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CID 2601328) is 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(OC)cc2)c1C.
What is the InChIKey of 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is YEIROUIFHNYLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-5-27-20(25)18-12(2)17(13(3)22-18)19(24)28-11-16(23)21-10-14-6-8-15(26-4)9-7-14/h6-9,22H,5,10-11H2,1-4H3,(H,21,23).
What are the key properties of 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 388.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 4-O-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 2601328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).