N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H24F3NO2 — CID 79487315

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO2/c1-4-18(9-13(2,3)20)12(19)10-6-5-7-11(8-10)14(15,16)17/h10-11,20H,4-9H2,1-3H3
InChIKeyAOYQJUVBQREJGH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.97
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 79487315) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID79487315
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO2/c1-4-18(9-13(2,3)20)12(19)10-6-5-7-11(8-10)14(15,16)17/h10-11,20H,4-9H2,1-3H3
InChIKeyAOYQJUVBQREJGH-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide 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-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 79487315) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCN(CC(C)(C)O)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is AOYQJUVBQREJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-4-18(9-13(2,3)20)12(19)10-6-5-7-11(8-10)14(15,16)17/h10-11,20H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79487315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).