ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate

C24H24N2O5 — CID 4527923

IUPACethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate
SMILESCCOC(=O)C1(C)C=C(Nc2ccc(C(C)=O)cc2)C(=O)N1c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H24N2O5/c1-5-31-23(30)24(4)14-21(25-19-10-6-17(7-11-19)15(2)27)22(29)26(24)20-12-8-18(9-13-20)16(3)28/h6-14,25H,5H2,1-4H3
InChIKeyXTZJSVNIHGJMHG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.76
Rot. Bonds7

About ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate

ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate (PubChem CID 4527923) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate
PubChem CID4527923
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate
SMILESCCOC(=O)C1(C)C=C(Nc2ccc(C(C)=O)cc2)C(=O)N1c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H24N2O5/c1-5-31-23(30)24(4)14-21(25-19-10-6-17(7-11-19)15(2)27)22(29)26(24)20-12-8-18(9-13-20)16(3)28/h6-14,25H,5H2,1-4H3
InChIKeyXTZJSVNIHGJMHG-UHFFFAOYSA-N
XLogP3.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate (CID 4527923) is ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate is CCOC(=O)C1(C)C=C(Nc2ccc(C(C)=O)cc2)C(=O)N1c1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate?
The InChIKey is XTZJSVNIHGJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-5-31-23(30)24(4)14-21(25-19-10-6-17(7-11-19)15(2)27)22(29)26(24)20-12-8-18(9-13-20)16(3)28/h6-14,25H,5H2,1-4H3.
What are the key properties of ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate?
ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylanilino)-1-(4-acetylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate is sourced from PubChem (CID 4527923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).