2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C9H17F3N2O2 — CID 63826889

IUPAC2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCNC(C)(C)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,13-3)7(15)14-4-5-16-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyBPPGXLAZSJQFGL-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds6

About 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 63826889) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID63826889
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCNC(C)(C)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,13-3)7(15)14-4-5-16-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyBPPGXLAZSJQFGL-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide 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 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 63826889) is 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is CNC(C)(C)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is BPPGXLAZSJQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-8(2,13-3)7(15)14-4-5-16-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 63826889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).