N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide

C22H20N4O3 — CID 1367050

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1
InChIInChI=1S/C22H20N4O3/c1-2-28-19-11-9-17(10-12-19)26-24-20-13-8-16(14-21(20)25-26)23-22(27)15-29-18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H,23,27)
InChIKeyKZBDBAVOUCZWML-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide (PubChem CID 1367050) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide
PubChem CID1367050
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1
InChIInChI=1S/C22H20N4O3/c1-2-28-19-11-9-17(10-12-19)26-24-20-13-8-16(14-21(20)25-26)23-22(27)15-29-18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H,23,27)
InChIKeyKZBDBAVOUCZWML-UHFFFAOYSA-N
XLogP3.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide (CID 1367050) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide is CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
The InChIKey is KZBDBAVOUCZWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-28-19-11-9-17(10-12-19)26-24-20-13-8-16(14-21(20)25-26)23-22(27)15-29-18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide has a molecular weight of 388.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 1367050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).