2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one

C26H32N2O4 — CID 108710960

IUPAC2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1
InChIInChI=1S/C26H32N2O4/c1-7-27(8-2)18-12-10-17(11-13-18)22-21(24(31)26(4,5)6)23(30)25(32)28(22)19-15-16(3)9-14-20(19)29/h9-15,22,29-30H,7-8H2,1-6H3
InChIKeyIDBHBOLLTGKPIQ-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.06
Rot. Bonds6

About 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one

2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108710960) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one
PubChem CID108710960
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1
InChIInChI=1S/C26H32N2O4/c1-7-27(8-2)18-12-10-17(11-13-18)22-21(24(31)26(4,5)6)23(30)25(32)28(22)19-15-16(3)9-14-20(19)29/h9-15,22,29-30H,7-8H2,1-6H3
InChIKeyIDBHBOLLTGKPIQ-UHFFFAOYSA-N
XLogP5.06
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108710264
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630190
1-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108697226
1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108576033
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108616649
(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-hydroxy-5-methylphenyl)pyrrolidine-2,3-dione
CID 108710970
1-(5-chloro-2-hydroxyphenyl)-3-(2,2-dimethylpropanoyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108716472
2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108711074
1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658702
2-[4-(diethylamino)phenyl]-1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711223
1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108669941
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108655341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one (CID 108710960) is 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one is CCN(CC)c1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is IDBHBOLLTGKPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-7-27(8-2)18-12-10-17(11-13-18)22-21(24(31)26(4,5)6)23(30)25(32)28(22)19-15-16(3)9-14-20(19)29/h9-15,22,29-30H,7-8H2,1-6H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one?
2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 436.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108710960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).