N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H21F3N2O2 — CID 104625809

IUPACN-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCC(C)(C)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2,4-5-18-3)7-16-9(17)6-15-8-11(12,13)14/h15H,4-8H2,1-3H3,(H,16,17)
InChIKeyZLRWWYYSCBZUJU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.32
Rot. Bonds8

About N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 104625809) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID104625809
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCC(C)(C)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2,4-5-18-3)7-16-9(17)6-15-8-11(12,13)14/h15H,4-8H2,1-3H3,(H,16,17)
InChIKeyZLRWWYYSCBZUJU-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 130237025
2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60977188
2-[(3-methoxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61957524
N-(3-methoxypropyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226137
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
N-(4-methoxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924287
N-ethyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78925192
N-(3-methoxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958243
2-(2,2,2-trifluoroethylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 78966310
1-[3-(Methoxymethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78998651
N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261797
2-amino-3,3,3-trifluoro-N-(4-methoxybutyl)-2-methylpropanamide
CID 79811317

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 104625809) is N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is COCCC(C)(C)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZLRWWYYSCBZUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(2,4-5-18-3)7-16-9(17)6-15-8-11(12,13)14/h15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 104625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).