2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C24H22N2O3 — CID 2434181

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-28-22-10-4-18(5-11-22)14-15-26-24(27)17-29-23-12-8-21(9-13-23)20-6-2-19(16-25)3-7-20/h2-13H,14-15,17H2,1H3,(H,26,27)
InChIKeyXFGCBQBJMGAAEB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.97
Rot. Bonds8

About 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2434181) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2434181
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-28-22-10-4-18(5-11-22)14-15-26-24(27)17-29-23-12-8-21(9-13-23)20-6-2-19(16-25)3-7-20/h2-13H,14-15,17H2,1H3,(H,26,27)
InChIKeyXFGCBQBJMGAAEB-UHFFFAOYSA-N
XLogP3.97
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2434181) is 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is XFGCBQBJMGAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-22-10-4-18(5-11-22)14-15-26-24(27)17-29-23-12-8-21(9-13-23)20-6-2-19(16-25)3-7-20/h2-13H,14-15,17H2,1H3,(H,26,27).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2434181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).