1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one

C22H23NO4 — CID 108575948

IUPAC1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C22H23NO4/c1-5-18(24)19-20(15-7-10-17(27-4)11-8-15)23(22(26)21(19)25)16-9-6-13(2)14(3)12-16/h6-12,20,25H,5H2,1-4H3
InChIKeyRQCCJYMRTCEKJU-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.19
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one

1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108575948) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108575948
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C22H23NO4/c1-5-18(24)19-20(15-7-10-17(27-4)11-8-15)23(22(26)21(19)25)16-9-6-13(2)14(3)12-16/h6-12,20,25H,5H2,1-4H3
InChIKeyRQCCJYMRTCEKJU-UHFFFAOYSA-N
XLogP4.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577544
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108575965
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108601139
ethyl 3-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzoate
CID 108697658
1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108682877
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108658530
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108602761
1-(3,4-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108703994
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108667941
2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108676463

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one (CID 108575948) is 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is RQCCJYMRTCEKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-5-18(24)19-20(15-7-10-17(27-4)11-8-15)23(22(26)21(19)25)16-9-6-13(2)14(3)12-16/h6-12,20,25H,5H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 365.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108575948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).