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

C23H22N4O3 — CID 2872381

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-3-29-19-11-9-18(10-12-19)27-25-20-13-8-17(14-21(20)26-27)24-23(28)15-30-22-7-5-4-6-16(22)2/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeyDAMZFSDGBMXJFY-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.15
Rot. Bonds7

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

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 2872381) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide
PubChem CID2872381
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-3-29-19-11-9-18(10-12-19)27-25-20-13-8-17(14-21(20)26-27)24-23(28)15-30-22-7-5-4-6-16(22)2/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeyDAMZFSDGBMXJFY-UHFFFAOYSA-N
XLogP4.15
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.15
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-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide (CID 2872381) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide is CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is DAMZFSDGBMXJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-29-19-11-9-18(10-12-19)27-25-20-13-8-17(14-21(20)26-27)24-23(28)15-30-22-7-5-4-6-16(22)2/h4-14H,3,15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.15, 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-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2872381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).