N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide

C16H16N4O2 — CID 155517943

IUPACN-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2nn(C)nc2c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-4-6-15(11)22-10-16(21)17-12-7-8-13-14(9-12)19-20(2)18-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyQPJJJUZLTBUWGV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.29
Rot. Bonds4

About N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide

N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 155517943) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
PubChem CID155517943
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2nn(C)nc2c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-4-6-15(11)22-10-16(21)17-12-7-8-13-14(9-12)19-20(2)18-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyQPJJJUZLTBUWGV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1109840
N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 138115403
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
CID 876205
N-1H-indazol-5-yl-2-(2-isopropylphenoxy)acetamide
CID 6469899
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1111955
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 2872381
2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2989641
2-(2,3-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 3160964
N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
CID 7831963
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-propionamide
CID 654352

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide (CID 155517943) is N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2nn(C)nc2c1.
What is the InChIKey of N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is QPJJJUZLTBUWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-5-3-4-6-15(11)22-10-16(21)17-12-7-8-13-14(9-12)19-20(2)18-13/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 155517943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).