N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H17F3N2O2 — CID 103212927

IUPACN-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-8(2,5-13)14-7(15)4-16-6-9(10,11)12/h3-6,13H2,1-2H3,(H,14,15)
InChIKeyFGMXBDWASXGWIN-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212927) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212927
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-8(2,5-13)14-7(15)4-16-6-9(10,11)12/h3-6,13H2,1-2H3,(H,14,15)
InChIKeyFGMXBDWASXGWIN-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide 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-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212927) is N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(C)(CN)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FGMXBDWASXGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-8(2,5-13)14-7(15)4-16-6-9(10,11)12/h3-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).