1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione

C15H20N2O2 — CID 43437304

IUPAC1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(C)c(N)c2)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-15(5-2)9-13(18)17(14(15)19)11-7-6-10(3)12(16)8-11/h6-8H,4-5,9,16H2,1-3H3
InChIKeyYHYMNRFOCBZMHH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione

1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 43437304) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID43437304
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(C)c(N)c2)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-15(5-2)9-13(18)17(14(15)19)11-7-6-10(3)12(16)8-11/h6-8H,4-5,9,16H2,1-3H3
InChIKeyYHYMNRFOCBZMHH-UHFFFAOYSA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione (CID 43437304) is 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccc(C)c(N)c2)C1=O.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is YHYMNRFOCBZMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-15(5-2)9-13(18)17(14(15)19)11-7-6-10(3)12(16)8-11/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione?
1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 43437304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).