2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide

C16H16N4O2 — CID 18720497

IUPAC2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H16N4O2/c1-10-7-11(9-15(21)17-2)8-14(16(10)22)20-18-12-5-3-4-6-13(12)19-20/h3-8,22H,9H2,1-2H3,(H,17,21)
InChIKeyZWMWHQJVPQLXFG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.72
Rot. Bonds3

About 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide

2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide (PubChem CID 18720497) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide
PubChem CID18720497
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H16N4O2/c1-10-7-11(9-15(21)17-2)8-14(16(10)22)20-18-12-5-3-4-6-13(12)19-20/h3-8,22H,9H2,1-2H3,(H,17,21)
InChIKeyZWMWHQJVPQLXFG-UHFFFAOYSA-N
XLogP1.72
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide 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-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide?
The IUPAC name of 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide (CID 18720497) is 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide is CNC(=O)Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide?
The InChIKey is ZWMWHQJVPQLXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-7-11(9-15(21)17-2)8-14(16(10)22)20-18-12-5-3-4-6-13(12)19-20/h3-8,22H,9H2,1-2H3,(H,17,21).
What are the key properties of 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide?
2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide has a molecular weight of 296.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]-N-methylacetamide is sourced from PubChem (CID 18720497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).