N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

C16H16N4O2 — CID 738084

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1
InChIInChI=1S/C16H16N4O2/c1-10-8-15-16(9-14(10)17-11(2)21)19-20(18-15)12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,17,21)
InChIKeyIATFJLQWWAEOEA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.70
Rot. Bonds3

About N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 738084) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
PubChem CID738084
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1
InChIInChI=1S/C16H16N4O2/c1-10-8-15-16(9-14(10)17-11(2)21)19-20(18-15)12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,17,21)
InChIKeyIATFJLQWWAEOEA-UHFFFAOYSA-N
XLogP2.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (CID 738084) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is COc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is IATFJLQWWAEOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-8-15-16(9-14(10)17-11(2)21)19-20(18-15)12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,17,21).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 738084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).