2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide

C24H22N4O4 — CID 3511179

IUPAC2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O4/c1-30-20-9-3-17(4-10-20)23-15-25-27-28(23)19-7-5-18(6-8-19)26-24(29)16-32-22-13-11-21(31-2)12-14-22/h3-15H,16H2,1-2H3,(H,26,29)
InChIKeyONQOORPVXNRJHB-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.97
Rot. Bonds8

About 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide

2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide (PubChem CID 3511179) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide
PubChem CID3511179
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O4/c1-30-20-9-3-17(4-10-20)23-15-25-27-28(23)19-7-5-18(6-8-19)26-24(29)16-32-22-13-11-21(31-2)12-14-22/h3-15H,16H2,1-2H3,(H,26,29)
InChIKeyONQOORPVXNRJHB-UHFFFAOYSA-N
XLogP3.97
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.97
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-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide (CID 3511179) is 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide?
The InChIKey is ONQOORPVXNRJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-20-9-3-17(4-10-20)23-15-25-27-28(23)19-7-5-18(6-8-19)26-24(29)16-32-22-13-11-21(31-2)12-14-22/h3-15H,16H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 3511179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).