N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide

C11H18F3N3O2 — CID 63143545

IUPACN,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C11H18F3N3O2/c1-10(3-4-15-6-10)9(19)17(2)5-8(18)16-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,18)
InChIKeySIMZBHBGLPMXSF-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.12
Rot. Bonds4

About N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide

N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63143545) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID63143545
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C11H18F3N3O2/c1-10(3-4-15-6-10)9(19)17(2)5-8(18)16-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,18)
InChIKeySIMZBHBGLPMXSF-UHFFFAOYSA-N
XLogP0.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide (CID 63143545) is N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1(C)CCNC1.
What is the InChIKey of N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SIMZBHBGLPMXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-10(3-4-15-6-10)9(19)17(2)5-8(18)16-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63143545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).