3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione

C12H14N2O3 — CID 616408

IUPAC3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-14-11(15)7-10(12(14)16)13-8-3-5-9(17-2)6-4-8/h3-6,10,13H,7H2,1-2H3
InChIKeyUNLSOMOKTMLKID-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.86
Rot. Bonds3

About 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione

3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione (PubChem CID 616408) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione
PubChem CID616408
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-14-11(15)7-10(12(14)16)13-8-3-5-9(17-2)6-4-8/h3-6,10,13H,7H2,1-2H3
InChIKeyUNLSOMOKTMLKID-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
Propetamide
CID 68937
Hydantoin, 3-(p-methoxyphenyl)-2-thio-
CID 757480
1-(4-Methoxyphenyl)imidazolidine-2,4,5-trione
CID 4962255
1-(((4-Methoxyphenyl)amino)methyl)pyrrolidine-2,5-dione
CID 748195
Ucm 765
CID 24749950
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
2-(4-Cyanomethyl-piperazin-1-yl)-N-(4-methoxy-phenyl)-acetamide
CID 586701
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
N-(4-Methoxyphenyl)-2-(4-phenyl-1-piperazinyl)acetamide
CID 975074
N-(4-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2843603
N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2956602

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione (CID 616408) is 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is UNLSOMOKTMLKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-11(15)7-10(12(14)16)13-8-3-5-9(17-2)6-4-8/h3-6,10,13H,7H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 616408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).