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

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea
CID 46993199
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
CID 61138265
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529
N-(2-cyclohexylethyl)-2-(7-methylsulfonyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 129002690
(2R)-2-cyclohexyl-2-[[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetic acid
CID 166303148
4-amino-N-(2-cyclohexylethyl)-3,3-dimethylbutanamide
CID 115157434
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide
CID 62403216
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559

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).