N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H21F3N2O2 — CID 79039779

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1CCCC(O)(CNC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-9-3-2-4-11(19,5-9)7-17-10(18)6-16-8-12(13,14)15/h9,16,19H,2-8H2,1H3,(H,17,18)
InChIKeyABASCFJONZWGDI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.20
Rot. Bonds5

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79039779) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79039779
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1CCCC(O)(CNC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-9-3-2-4-11(19,5-9)7-17-10(18)6-16-8-12(13,14)15/h9,16,19H,2-8H2,1H3,(H,17,18)
InChIKeyABASCFJONZWGDI-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 79039779) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC1CCCC(O)(CNC(=O)CNCC(F)(F)F)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ABASCFJONZWGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9-3-2-4-11(19,5-9)7-17-10(18)6-16-8-12(13,14)15/h9,16,19H,2-8H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79039779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).