3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

C15H20N2O2 — CID 71669968

IUPAC3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NC(C)(C)C)C2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10-5-7-11(8-6-10)17-13(18)9-12(14(17)19)16-15(2,3)4/h5-8,12,16H,9H2,1-4H3
InChIKeyKZLVYLQNDDXYDP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds2

About 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 71669968) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID71669968
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NC(C)(C)C)C2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10-5-7-11(8-6-10)17-13(18)9-12(14(17)19)16-15(2,3)4/h5-8,12,16H,9H2,1-4H3
InChIKeyKZLVYLQNDDXYDP-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 71669968) is 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(NC(C)(C)C)C2=O)cc1.
What is the InChIKey of 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is KZLVYLQNDDXYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-7-11(8-6-10)17-13(18)9-12(14(17)19)16-15(2,3)4/h5-8,12,16H,9H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71669968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).