3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C22H25NO4 — CID 108649378

IUPAC3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C22H25NO4/c1-5-14-8-10-15(11-9-14)18-17(20(25)22(2,3)4)19(24)21(26)23(18)13-16-7-6-12-27-16/h6-12,18,24H,5,13H2,1-4H3
InChIKeyZPZKVQHIJZBITO-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.35
Rot. Bonds5

About 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108649378) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108649378
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C22H25NO4/c1-5-14-8-10-15(11-9-14)18-17(20(25)22(2,3)4)19(24)21(26)23(18)13-16-7-6-12-27-16/h6-12,18,24H,5,13H2,1-4H3
InChIKeyZPZKVQHIJZBITO-UHFFFAOYSA-N
XLogP4.35
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108612408
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108619332
3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 108645244
2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4630763
2-(4-chlorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108641288
3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 565942
2-[4-(diethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860016
(2R)-3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 1033522
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione
CID 108639877
1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108617084
(2S)-1-benzyl-3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1284533
2-(4-tert-butylphenyl)-3-(2,2-dimethylpropanoyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108691650

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 108649378) is 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is CCc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is ZPZKVQHIJZBITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-5-14-8-10-15(11-9-14)18-17(20(25)22(2,3)4)19(24)21(26)23(18)13-16-7-6-12-27-16/h6-12,18,24H,5,13H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 367.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108649378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).