2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide

C23H20N2O2 — CID 2537079

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c24-16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-17-23(26)25-15-14-18-4-2-1-3-5-18/h1-13H,14-15,17H2,(H,25,26)
InChIKeyHIEJCSXDOIJZJV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.96
Rot. Bonds7

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

2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 2537079) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide
PubChem CID2537079
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c24-16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-17-23(26)25-15-14-18-4-2-1-3-5-18/h1-13H,14-15,17H2,(H,25,26)
InChIKeyHIEJCSXDOIJZJV-UHFFFAOYSA-N
XLogP3.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide (CID 2537079) is 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide is N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is HIEJCSXDOIJZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c24-16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-17-23(26)25-15-14-18-4-2-1-3-5-18/h1-13H,14-15,17H2,(H,25,26).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2537079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).