2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide

C22H20N4O2 — CID 1111951

IUPAC2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-3-8-18(9-4-15)26-24-20-12-7-17(13-21(20)25-26)23-22(27)14-28-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyOIOFZVKWVFQYGX-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide

2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1111951) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
PubChem CID1111951
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-3-8-18(9-4-15)26-24-20-12-7-17(13-21(20)25-26)23-22(27)14-28-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyOIOFZVKWVFQYGX-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide (CID 1111951) is 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide is Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is OIOFZVKWVFQYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-3-8-18(9-4-15)26-24-20-12-7-17(13-21(20)25-26)23-22(27)14-28-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1111951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).