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

C27H26N2O5 — CID 162674101

IUPACethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(OC)cc2)C(=O)N(c2ccc(OC)cc2)C1c1ccccc1
InChIInChI=1S/C27H26N2O5/c1-4-34-27(31)23-24(28-19-10-14-21(32-2)15-11-19)26(30)29(20-12-16-22(33-3)17-13-20)25(23)18-8-6-5-7-9-18/h5-17,25,28H,4H2,1-3H3
InChIKeyAARLGLBVNGLRAU-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.72
Rot. Bonds8

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

ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate (PubChem CID 162674101) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
PubChem CID162674101
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Nameethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(OC)cc2)C(=O)N(c2ccc(OC)cc2)C1c1ccccc1
InChIInChI=1S/C27H26N2O5/c1-4-34-27(31)23-24(28-19-10-14-21(32-2)15-11-19)26(30)29(20-12-16-22(33-3)17-13-20)25(23)18-8-6-5-7-9-18/h5-17,25,28H,4H2,1-3H3
InChIKeyAARLGLBVNGLRAU-UHFFFAOYSA-N
XLogP4.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162663143
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
2-[2-(4-methoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
CID 4886660
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate
CID 3516240
ethyl 4-[3-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzoate
CID 58044873
ethyl 2-(4-cyanophenyl)-5-oxo-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxylate
CID 162662465
ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54676164
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate (CID 162674101) is ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(Nc2ccc(OC)cc2)C(=O)N(c2ccc(OC)cc2)C1c1ccccc1.
What is the InChIKey of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The InChIKey is AARLGLBVNGLRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-4-34-27(31)23-24(28-19-10-14-21(32-2)15-11-19)26(30)29(20-12-16-22(33-3)17-13-20)25(23)18-8-6-5-7-9-18/h5-17,25,28H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate has a molecular weight of 458.51 g/mol, XLogP of 4.72, 8 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)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 162674101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).