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

C23H22N4O3 — CID 3373903

IUPACN-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-3-16-4-7-18(8-5-16)27-25-21-13-6-17(14-22(21)26-27)24-23(28)15-30-20-11-9-19(29-2)10-12-20/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeySUZRQNIDDMLUBB-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.01
Rot. Bonds7

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

N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 3373903) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID3373903
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-3-16-4-7-18(8-5-16)27-25-21-13-6-17(14-22(21)26-27)24-23(28)15-30-20-11-9-19(29-2)10-12-20/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeySUZRQNIDDMLUBB-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide (CID 3373903) is N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide is CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is SUZRQNIDDMLUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-16-4-7-18(8-5-16)27-25-21-13-6-17(14-22(21)26-27)24-23(28)15-30-20-11-9-19(29-2)10-12-20/h4-14H,3,15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 3373903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).