2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O2 — CID 65121180

IUPAC2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CCC(O)(CNCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-2-10-3-5-12(20,6-4-10)8-17-7-11(19)18-9-13(14,15)16/h10,17,20H,2-9H2,1H3,(H,18,19)
InChIKeyRORCQDHDVNTHMZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.59
Rot. Bonds6

About 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65121180) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65121180
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CCC(O)(CNCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-2-10-3-5-12(20,6-4-10)8-17-7-11(19)18-9-13(14,15)16/h10,17,20H,2-9H2,1H3,(H,18,19)
InChIKeyRORCQDHDVNTHMZ-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-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-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 65121180) is 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCC1CCC(O)(CNCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RORCQDHDVNTHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-10-3-5-12(20,6-4-10)8-17-7-11(19)18-9-13(14,15)16/h10,17,20H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65121180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).