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

C15H23F3N2O3 — CID 71996959

IUPAC2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C15H23F3N2O3/c1-9(2)14(5)6-11(21)19(13(14)23)7-12(22)20(10(3)4)8-15(16,17)18/h9-10H,6-8H2,1-5H3
InChIKeyNBSCOJYIQFMKBN-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.21
Rot. Bonds5

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

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71996959) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71996959
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C15H23F3N2O3/c1-9(2)14(5)6-11(21)19(13(14)23)7-12(22)20(10(3)4)8-15(16,17)18/h9-10H,6-8H2,1-5H3
InChIKeyNBSCOJYIQFMKBN-UHFFFAOYSA-N
XLogP2.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
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-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 71996959) is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=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-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NBSCOJYIQFMKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-9(2)14(5)6-11(21)19(13(14)23)7-12(22)20(10(3)4)8-15(16,17)18/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 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-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71996959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).