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

C22H20N4O2 — CID 1109840

IUPAC2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyLKAZLKLHUAIYCE-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.05
Rot. Bonds5

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

2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1109840) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
PubChem CID1109840
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyLKAZLKLHUAIYCE-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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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 138115403
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
CID 876205
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
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide
CID 711915

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide (CID 1109840) is 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide is Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is LKAZLKLHUAIYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
2-(2-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-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1109840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).