2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide

C13H22N2O3 — CID 78899614

IUPAC2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-8(2)13(5)6-11(17)15(12(13)18)7-10(16)14-9(3)4/h8-9H,6-7H2,1-5H3,(H,14,16)
InChIKeyOECQTPQHHBWNPM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.93
Rot. Bonds4

About 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 78899614) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
PubChem CID78899614
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-8(2)13(5)6-11(17)15(12(13)18)7-10(16)14-9(3)4/h8-9H,6-7H2,1-5H3,(H,14,16)
InChIKeyOECQTPQHHBWNPM-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.93
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 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide (CID 78899614) is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is OECQTPQHHBWNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)13(5)6-11(17)15(12(13)18)7-10(16)14-9(3)4/h8-9H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide?
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 254.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 78899614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).