2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C15H20N4O2 — CID 80735511

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc(C(C)O)nn2)c(C)c1
InChIInChI=1S/C15H20N4O2/c1-9-5-10(2)15(11(3)6-9)16-14(21)8-19-7-13(12(4)20)17-18-19/h5-7,12,20H,8H2,1-4H3,(H,16,21)
InChIKeyYAPNWJGRUQQHQM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 80735511) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID80735511
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc(C(C)O)nn2)c(C)c1
InChIInChI=1S/C15H20N4O2/c1-9-5-10(2)15(11(3)6-9)16-14(21)8-19-7-13(12(4)20)17-18-19/h5-7,12,20H,8H2,1-4H3,(H,16,21)
InChIKeyYAPNWJGRUQQHQM-UHFFFAOYSA-N
XLogP1.90
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80735512
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 80742702
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 154750390
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 115458933
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116642139
N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444507
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 80735511) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2cc(C(C)O)nn2)c(C)c1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YAPNWJGRUQQHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-5-10(2)15(11(3)6-9)16-14(21)8-19-7-13(12(4)20)17-18-19/h5-7,12,20H,8H2,1-4H3,(H,16,21).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 80735511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).