3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione

C19H30N2O4 — CID 135300370

IUPAC3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C(C)(C)C(C)(C)C2C(=O)NC(=O)C2C(C)(C)C)C1=O
InChIInChI=1S/C19H30N2O4/c1-17(2,3)12-13(15(24)20-14(12)23)19(6,7)18(4,5)10-9-11(22)21(8)16(10)25/h10,12-13H,9H2,1-8H3,(H,20,23,24)
InChIKeyIBERKGDTNQMOFP-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.98
Rot. Bonds3

About 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione

3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 135300370) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID135300370
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C(C)(C)C(C)(C)C2C(=O)NC(=O)C2C(C)(C)C)C1=O
InChIInChI=1S/C19H30N2O4/c1-17(2,3)12-13(15(24)20-14(12)23)19(6,7)18(4,5)10-9-11(22)21(8)16(10)25/h10,12-13H,9H2,1-8H3,(H,20,23,24)
InChIKeyIBERKGDTNQMOFP-UHFFFAOYSA-N
XLogP1.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione (CID 135300370) is 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(C(C)(C)C(C)(C)C2C(=O)NC(=O)C2C(C)(C)C)C1=O.
What is the InChIKey of 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is IBERKGDTNQMOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-17(2,3)12-13(15(24)20-14(12)23)19(6,7)18(4,5)10-9-11(22)21(8)16(10)25/h10,12-13H,9H2,1-8H3,(H,20,23,24).
What are the key properties of 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione?
3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 350.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 135300370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).