ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate

C22H24N2O5 — CID 3516240

IUPACethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1C(C)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C22H24N2O5/c1-5-29-22(26)20-14(2)19(23-15-6-10-17(27-3)11-7-15)21(25)24(20)16-8-12-18(28-4)13-9-16/h6-13,20,23H,5H2,1-4H3
InChIKeyWGFFYVHZXOTHDR-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.37
Rot. Bonds7

About ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate

ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate (PubChem CID 3516240) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate
PubChem CID3516240
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Nameethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1C(C)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C22H24N2O5/c1-5-29-22(26)20-14(2)19(23-15-6-10-17(27-3)11-7-15)21(25)24(20)16-8-12-18(28-4)13-9-16/h6-13,20,23H,5H2,1-4H3
InChIKeyWGFFYVHZXOTHDR-UHFFFAOYSA-N
XLogP3.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162674101
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
2-[2-(4-methoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
CID 4886660
ethyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidine-2-carboxylate
CID 11162120
ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
CID 11552885
ethyl 1-(4-methoxyphenyl)-4,5-dioxopyrazolidine-3-carboxylate
CID 86584642
ethyl (2S,3S)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 11748384
ethyl (2S,3S)-3-butoxy-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 70322331
diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate
CID 46928184
ethyl (2R,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 135014634
diethyl 4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-2,3-dicarboxylate
CID 101257938

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate (CID 3516240) is ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate is CCOC(=O)C1C(C)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate?
The InChIKey is WGFFYVHZXOTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-5-29-22(26)20-14(2)19(23-15-6-10-17(27-3)11-7-15)21(25)24(20)16-8-12-18(28-4)13-9-16/h6-13,20,23H,5H2,1-4H3.
What are the key properties of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate?
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 3516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).