2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide

C16H28N4O — CID 136548229

IUPAC2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide
SMILESCC(C)(C)c1ncn(CC(=O)NCCC2CCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-18-12-20(19-15)11-14(21)17-10-9-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,17,21)
InChIKeyDYZUIZBFRPVXJH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.66
Rot. Bonds5

About 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide

2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide (PubChem CID 136548229) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide
PubChem CID136548229
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide
SMILESCC(C)(C)c1ncn(CC(=O)NCCC2CCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-18-12-20(19-15)11-14(21)17-10-9-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,17,21)
InChIKeyDYZUIZBFRPVXJH-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)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-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide (CID 136548229) is 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide is CC(C)(C)c1ncn(CC(=O)NCCC2CCCCC2)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide?
The InChIKey is DYZUIZBFRPVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)15-18-12-20(19-15)11-14(21)17-10-9-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,17,21).
What are the key properties of 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide?
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide is sourced from PubChem (CID 136548229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).