1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione

C20H20N2O3 — CID 110584410

IUPAC1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1C
InChIInChI=1S/C20H20N2O3/c1-12-8-9-14(10-13(12)2)17-18(23)20(25)22(19(17)24)16-7-5-6-15(11-16)21(3)4/h5-11,23H,1-4H3
InChIKeyGAWNIULZTJBHRW-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.21
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione

1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110584410) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110584410
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1C
InChIInChI=1S/C20H20N2O3/c1-12-8-9-14(10-13(12)2)17-18(23)20(25)22(19(17)24)16-7-5-6-15(11-16)21(3)4/h5-11,23H,1-4H3
InChIKeyGAWNIULZTJBHRW-UHFFFAOYSA-N
XLogP3.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110550801
3-[benzyl(methyl)amino]-1-[3-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550789
1-[3-(dimethylamino)phenyl]-3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589906
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584359
1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110589902
1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581667
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
CID 110584401
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581960
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584373
1-[3-(dimethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574629

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (CID 110584410) is 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1C.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is GAWNIULZTJBHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-8-9-14(10-13(12)2)17-18(23)20(25)22(19(17)24)16-7-5-6-15(11-16)21(3)4/h5-11,23H,1-4H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 336.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110584410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).