3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione

C15H20N2O4 — CID 43636447

IUPAC3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1OC
InChIInChI=1S/C15H20N2O4/c1-9(2)17-14(18)8-11(15(17)19)16-10-5-6-12(20-3)13(7-10)21-4/h5-7,9,11,16H,8H2,1-4H3
InChIKeyFDFQWTLRGAMBHB-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.65
Rot. Bonds5

About 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43636447) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43636447
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1OC
InChIInChI=1S/C15H20N2O4/c1-9(2)17-14(18)8-11(15(17)19)16-10-5-6-12(20-3)13(7-10)21-4/h5-7,9,11,16H,8H2,1-4H3
InChIKeyFDFQWTLRGAMBHB-UHFFFAOYSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
3-(3-bromo-4-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 104776646
(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
CID 51613691
3-(3-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636337
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60934332
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 42891162
3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 107364701
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 43636447) is 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is FDFQWTLRGAMBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)17-14(18)8-11(15(17)19)16-10-5-6-12(20-3)13(7-10)21-4/h5-7,9,11,16H,8H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).