2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 107408179

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(O)CCCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-10(18)3-2-5-16(6-4-10)7-9(17)15-8-11(12,13)14/h18H,2-8H2,1H3,(H,15,17)
InChIKeyAJNHFRRGPIIDHI-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds3

About 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107408179) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107408179
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(O)CCCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-10(18)3-2-5-16(6-4-10)7-9(17)15-8-11(12,13)14/h18H,2-8H2,1H3,(H,15,17)
InChIKeyAJNHFRRGPIIDHI-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)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 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107408179) is 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC1(O)CCCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AJNHFRRGPIIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(18)3-2-5-16(6-4-10)7-9(17)15-8-11(12,13)14/h18H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107408179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).