2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide

C16H16N4O2 — CID 91962426

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C16H16N4O2/c1-11-7-8-15(22-10-16(21)17-2)14(9-11)20-18-12-5-3-4-6-13(12)19-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyFIBXTZQPPGQVHW-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.85
Rot. Bonds4

About 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide (PubChem CID 91962426) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
PubChem CID91962426
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C16H16N4O2/c1-11-7-8-15(22-10-16(21)17-2)14(9-11)20-18-12-5-3-4-6-13(12)19-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyFIBXTZQPPGQVHW-UHFFFAOYSA-N
XLogP1.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-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

Related Compounds

1-[[2-[2-(benzotriazol-2-yl)-4-methylphenoxy]acetyl]amino]-3-methylthiourea
CID 5298641
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 71832692
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
CID 17234031
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 16764891
2-(5-methyl-2-tridecoxyphenyl)benzotriazole
CID 59946740
3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide
CID 24582103
[2-(benzotriazol-2-yl)-4-methylphenyl] diethyl phosphate
CID 58625645
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
[2-(benzotriazol-2-yl)-4-methylphenyl] pyridine-4-carboxylate
CID 872291
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 9354919

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide (CID 91962426) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide?
The InChIKey is FIBXTZQPPGQVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-7-8-15(22-10-16(21)17-2)14(9-11)20-18-12-5-3-4-6-13(12)19-20/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide has a molecular weight of 296.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide is sourced from PubChem (CID 91962426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).