ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate

C23H24N2O5 — CID 2889021

IUPACethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)c1ccccc1NC1=CC(C)(C(=O)OCC)N(c2ccccc2)C1=O
InChIInChI=1S/C23H24N2O5/c1-4-29-21(27)17-13-9-10-14-18(17)24-19-15-23(3,22(28)30-5-2)25(20(19)26)16-11-7-6-8-12-16/h6-15,24H,4-5H2,1-3H3
InChIKeyMRASNRVIMAUAAM-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.53
Rot. Bonds7

About ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate

ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (PubChem CID 2889021) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
PubChem CID2889021
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)c1ccccc1NC1=CC(C)(C(=O)OCC)N(c2ccccc2)C1=O
InChIInChI=1S/C23H24N2O5/c1-4-29-21(27)17-13-9-10-14-18(17)24-19-15-23(3,22(28)30-5-2)25(20(19)26)16-11-7-6-8-12-16/h6-15,24H,4-5H2,1-3H3
InChIKeyMRASNRVIMAUAAM-UHFFFAOYSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-bromoanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3327045
2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate
CID 54715393
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2891433
ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate
CID 102338610
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113051086
ethyl 2-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877855

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CID 2889021) is ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is CCOC(=O)c1ccccc1NC1=CC(C)(C(=O)OCC)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The InChIKey is MRASNRVIMAUAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-29-21(27)17-13-9-10-14-18(17)24-19-15-23(3,22(28)30-5-2)25(20(19)26)16-11-7-6-8-12-16/h6-15,24H,4-5H2,1-3H3.
What are the key properties of ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is sourced from PubChem (CID 2889021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).