2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C15H24F3N3O3 — CID 57478765

IUPAC2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCCCC1CC(=O)N(C(CCCCNC(=O)C(F)(F)F)C(N)=O)C1
InChIInChI=1S/C15H24F3N3O3/c1-2-5-10-8-12(22)21(9-10)11(13(19)23)6-3-4-7-20-14(24)15(16,17)18/h10-11H,2-9H2,1H3,(H2,19,23)(H,20,24)
InChIKeyNRDQOMARYWJRPT-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.34
Rot. Bonds9

About 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 57478765) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound Name2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID57478765
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC Name2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCCCC1CC(=O)N(C(CCCCNC(=O)C(F)(F)F)C(N)=O)C1
InChIInChI=1S/C15H24F3N3O3/c1-2-5-10-8-12(22)21(9-10)11(13(19)23)6-3-4-7-20-14(24)15(16,17)18/h10-11H,2-9H2,1H3,(H2,19,23)(H,20,24)
InChIKeyNRDQOMARYWJRPT-UHFFFAOYSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 57478765) is 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is CCCC1CC(=O)N(C(CCCCNC(=O)C(F)(F)F)C(N)=O)C1.
What is the InChIKey of 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is NRDQOMARYWJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-2-5-10-8-12(22)21(9-10)11(13(19)23)6-3-4-7-20-14(24)15(16,17)18/h10-11H,2-9H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 351.37 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 57478765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).