N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

C15H20N4O2 — CID 80735512

IUPACN-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C15H20N4O2/c1-4-12-7-5-6-10(2)15(12)16-14(21)9-19-8-13(11(3)20)17-18-19/h5-8,11,20H,4,9H2,1-3H3,(H,16,21)
InChIKeyRBIKCWIVILOUSZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.84
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 80735512) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID80735512
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C15H20N4O2/c1-4-12-7-5-6-10(2)15(12)16-14(21)9-19-8-13(11(3)20)17-18-19/h5-8,11,20H,4,9H2,1-3H3,(H,16,21)
InChIKeyRBIKCWIVILOUSZ-UHFFFAOYSA-N
XLogP1.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (CID 80735512) is N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is CCc1cccc(C)c1NC(=O)Cn1cc(C(C)O)nn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is RBIKCWIVILOUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-12-7-5-6-10(2)15(12)16-14(21)9-19-8-13(11(3)20)17-18-19/h5-8,11,20H,4,9H2,1-3H3,(H,16,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 80735512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).