3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione

C22H24N2O3 — CID 110597986

IUPAC3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cc(C)ccc2C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C22H24N2O3/c1-13(2)24-21(25)19(16-8-6-7-9-18(16)27-5)20(22(24)26)23-17-12-14(3)10-11-15(17)4/h6-13,23H,1-5H3
InChIKeyRRKVOQZNTZFGPB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.91
Rot. Bonds5

About 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione

3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110597986) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110597986
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cc(C)ccc2C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C22H24N2O3/c1-13(2)24-21(25)19(16-8-6-7-9-18(16)27-5)20(22(24)26)23-17-12-14(3)10-11-15(17)4/h6-13,23H,1-5H3
InChIKeyRRKVOQZNTZFGPB-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.91
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

3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597976
3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110597765
3-chloro-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110583845
3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110597759
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110597154
3-(5-chloro-2-methylanilino)-1-[3-(dimethylamino)phenyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598587
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110600008
3-[4-(dimethylamino)anilino]-1-(2,4-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598497
3-(2,5-dimethoxyanilino)-1-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598028
3-anilino-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597852
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione (CID 110597986) is 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione is COc1ccccc1C1=C(Nc2cc(C)ccc2C)C(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is RRKVOQZNTZFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13(2)24-21(25)19(16-8-6-7-9-18(16)27-5)20(22(24)26)23-17-12-14(3)10-11-15(17)4/h6-13,23H,1-5H3.
What are the key properties of 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 364.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110597986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).