(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C29H32N2O3 — CID 124529529

IUPAC(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1
InChIInChI=1S/C29H32N2O3/c1-5-33-25-15-11-23(12-16-25)30-27-19-28(22-9-7-21(8-10-22)20(3)4)31(29(27)32)24-13-17-26(18-14-24)34-6-2/h7-20,28,30H,5-6H2,1-4H3/t28-/m1/s1
InChIKeyWGXGBYDQLJGYCR-MUUNZHRXSA-N
MW456.59 g/mol
LogP6.69
Rot. Bonds9

About (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 124529529) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID124529529
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1
InChIInChI=1S/C29H32N2O3/c1-5-33-25-15-11-23(12-16-25)30-27-19-28(22-9-7-21(8-10-22)20(3)4)31(29(27)32)24-13-17-26(18-14-24)34-6-2/h7-20,28,30H,5-6H2,1-4H3/t28-/m1/s1
InChIKeyWGXGBYDQLJGYCR-MUUNZHRXSA-N
XLogP6.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-butoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)-2H-pyrrol-5-one
CID 7046537
(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
CID 7046542
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
1-(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679927
2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2865100
3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108674635
2-(4-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108674640
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110588392
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108581897
3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110598526
(4E)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108674592
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 124529529) is (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CCOc1ccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1.
What is the InChIKey of (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is WGXGBYDQLJGYCR-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-5-33-25-15-11-23(12-16-25)30-27-19-28(22-9-7-21(8-10-22)20(3)4)31(29(27)32)24-13-17-26(18-14-24)34-6-2/h7-20,28,30H,5-6H2,1-4H3/t28-/m1/s1.
What are the key properties of (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 456.59 g/mol, XLogP of 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 124529529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).