N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O2 — CID 115624599

IUPACN-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(C)(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,6-16-3)14-7(15)4-13-5-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyKKVTWNZHAOORIU-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds6

About N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115624599) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115624599
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(C)(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,6-16-3)14-7(15)4-13-5-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyKKVTWNZHAOORIU-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

Analyze N-(1-methoxy-2-methylpropan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 115624599) is N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is COCC(C)(C)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KKVTWNZHAOORIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-8(2,6-16-3)14-7(15)4-13-5-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide 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 N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115624599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).