N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H23F3N2O2 — CID 79260581

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(C)CCC(O)(CNC(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2)3-5-12(20,6-4-11)8-18-10(19)7-17-9-13(14,15)16/h17,20H,3-9H2,1-2H3,(H,18,19)
InChIKeyGNUWFTYQEXBTKK-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.59
Rot. Bonds5

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260581) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260581
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(C)CCC(O)(CNC(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2)3-5-12(20,6-4-11)8-18-10(19)7-17-9-13(14,15)16/h17,20H,3-9H2,1-2H3,(H,18,19)
InChIKeyGNUWFTYQEXBTKK-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260581) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC1(C)CCC(O)(CNC(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GNUWFTYQEXBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11(2)3-5-12(20,6-4-11)8-18-10(19)7-17-9-13(14,15)16/h17,20H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).