(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one

C32H38N2O3 — CID 26517296

IUPAC(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one
SMILESCCCCc1ccc(NC2=C[C@H](c3ccc(OC)cc3OC)N(c3ccc(CCCC)cc3)C2=O)cc1
InChIInChI=1S/C32H38N2O3/c1-5-7-9-23-11-15-25(16-12-23)33-29-22-30(28-20-19-27(36-3)21-31(28)37-4)34(32(29)35)26-17-13-24(14-18-26)10-8-6-2/h11-22,30,33H,5-10H2,1-4H3/t30-/m1/s1
InChIKeyVMFXMGJRAQQCEA-SSEXGKCCSA-N
MW498.67 g/mol
LogP7.47
Rot. Bonds12

About (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one

(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 26517296) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one
PubChem CID26517296
Molecular FormulaC32H38N2O3
Molecular Weight498.67 g/mol
Exact Mass498.29
IUPAC Name(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one
SMILESCCCCc1ccc(NC2=C[C@H](c3ccc(OC)cc3OC)N(c3ccc(CCCC)cc3)C2=O)cc1
InChIInChI=1S/C32H38N2O3/c1-5-7-9-23-11-15-25(16-12-23)33-29-22-30(28-20-19-27(36-3)21-31(28)37-4)34(32(29)35)26-17-13-24(14-18-26)10-8-6-2/h11-22,30,33H,5-10H2,1-4H3/t30-/m1/s1
InChIKeyVMFXMGJRAQQCEA-SSEXGKCCSA-N
XLogP7.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 6618167
4-anilino-2-(2,5-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 2879675
2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2865100
(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
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
2-(4-butoxyphenyl)-4-(3,4-dimethylanilino)-1-(3,4-dimethylphenyl)-2H-pyrrol-5-one
CID 5184829
(4E)-1-(4-butylphenyl)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
CID 108683272
6-N-(4-butylphenyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23478456
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 124529511
(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 1121145

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one (CID 26517296) is (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one is CCCCc1ccc(NC2=C[C@H](c3ccc(OC)cc3OC)N(c3ccc(CCCC)cc3)C2=O)cc1.
What is the InChIKey of (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is VMFXMGJRAQQCEA-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-5-7-9-23-11-15-25(16-12-23)33-29-22-30(28-20-19-27(36-3)21-31(28)37-4)34(32(29)35)26-17-13-24(14-18-26)10-8-6-2/h11-22,30,33H,5-10H2,1-4H3/t30-/m1/s1.
What are the key properties of (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one?
(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 498.67 g/mol, XLogP of 7.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 26517296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).