2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

C21H20N2O2 — CID 776732

IUPAC2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C21H20N2O2/c1-16-4-2-3-5-20(16)25-15-21(24)23-19-8-6-17(7-9-19)14-18-10-12-22-13-11-18/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyJCODKZBVFAGZIN-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 776732) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
PubChem CID776732
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C21H20N2O2/c1-16-4-2-3-5-20(16)25-15-21(24)23-19-8-6-17(7-9-19)14-18-10-12-22-13-11-18/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyJCODKZBVFAGZIN-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 776732) is 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The InChIKey is JCODKZBVFAGZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-4-2-3-5-20(16)25-15-21(24)23-19-8-6-17(7-9-19)14-18-10-12-22-13-11-18/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 776732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).