2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

C22H20N4O4 — CID 1494242

IUPAC2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1
InChIInChI=1S/C22H20N4O4/c1-28-17-6-4-16(5-7-17)26-24-20-12-3-15(13-21(20)25-26)23-22(27)14-30-19-10-8-18(29-2)9-11-19/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyKOPICZOAYBFUMG-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.46
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1494242) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID1494242
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1
InChIInChI=1S/C22H20N4O4/c1-28-17-6-4-16(5-7-17)26-24-20-12-3-15(13-21(20)25-26)23-22(27)14-30-19-10-8-18(29-2)9-11-19/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyKOPICZOAYBFUMG-UHFFFAOYSA-N
XLogP3.46
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (CID 1494242) is 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is COc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is KOPICZOAYBFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-17-6-4-16(5-7-17)26-24-20-12-3-15(13-21(20)25-26)23-22(27)14-30-19-10-8-18(29-2)9-11-19/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1494242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).