4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one

C24H22N2O3 — CID 2783995

IUPAC4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(NC2=CC(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C24H22N2O3/c1-28-20-12-8-18(9-13-20)25-22-16-23(17-6-4-3-5-7-17)26(24(22)27)19-10-14-21(29-2)15-11-19/h3-16,23,25H,1-2H3
InChIKeyINKUVBMAPRSNKE-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.79
Rot. Bonds6

About 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one

4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 2783995) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID2783995
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(NC2=CC(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C24H22N2O3/c1-28-20-12-8-18(9-13-20)25-22-16-23(17-6-4-3-5-7-17)26(24(22)27)19-10-14-21(29-2)15-11-19/h3-16,23,25H,1-2H3
InChIKeyINKUVBMAPRSNKE-UHFFFAOYSA-N
XLogP4.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one (CID 2783995) is 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one is COc1ccc(NC2=CC(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is INKUVBMAPRSNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-20-12-8-18(9-13-20)25-22-16-23(17-6-4-3-5-7-17)26(24(22)27)19-10-14-21(29-2)15-11-19/h3-16,23,25H,1-2H3.
What are the key properties of 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 386.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 2783995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).