2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

C23H22N4O3 — CID 1111955

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-15-4-8-20(12-16(15)2)30-14-23(28)24-17-5-11-21-22(13-17)26-27(25-21)18-6-9-19(29-3)10-7-18/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyGXYJNMYHBMBQAV-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.06
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1111955) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID1111955
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-15-4-8-20(12-16(15)2)30-14-23(28)24-17-5-11-21-22(13-17)26-27(25-21)18-6-9-19(29-3)10-7-18/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyGXYJNMYHBMBQAV-UHFFFAOYSA-N
XLogP4.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (CID 1111955) is 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3n2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is GXYJNMYHBMBQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-4-8-20(12-16(15)2)30-14-23(28)24-17-5-11-21-22(13-17)26-27(25-21)18-6-9-19(29-3)10-7-18/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1111955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).