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

C16H16N4O3 — CID 91962428

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C16H16N4O3/c1-11-7-8-15(23-10-16(21)19-22-2)14(9-11)20-17-12-5-3-4-6-13(12)18-20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyZFBSKSQYZKUCHH-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.79
Rot. Bonds5

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

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide (PubChem CID 91962428) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
PubChem CID91962428
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C16H16N4O3/c1-11-7-8-15(23-10-16(21)19-22-2)14(9-11)20-17-12-5-3-4-6-13(12)18-20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyZFBSKSQYZKUCHH-UHFFFAOYSA-N
XLogP1.79
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
1-[[2-[2-(benzotriazol-2-yl)-4-methylphenoxy]acetyl]amino]-3-methylthiourea
CID 5298641
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 71832692
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
[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-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186219
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 9354919
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
CID 24608824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide (CID 91962428) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide is CONC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide?
The InChIKey is ZFBSKSQYZKUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11-7-8-15(23-10-16(21)19-22-2)14(9-11)20-17-12-5-3-4-6-13(12)18-20/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide has a molecular weight of 312.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide is sourced from PubChem (CID 91962428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).