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

C12H21F3N2O2 — CID 79260661

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

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

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260661) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260661
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1CCCC(CO)(NC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-9-3-2-4-11(5-9,8-18)17-10(19)6-16-7-12(13,14)15/h9,16,18H,2-8H2,1H3,(H,17,19)
InChIKeySPBUJKDTIAZSMR-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

Analyze N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)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 N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260661) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC1CCCC(CO)(NC(=O)CNCC(F)(F)F)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is SPBUJKDTIAZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9-3-2-4-11(5-9,8-18)17-10(19)6-16-7-12(13,14)15/h9,16,18H,2-8H2,1H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-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-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).