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

C21H20N2O2 — CID 2992862

IUPAC2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C21H20N2O2/c1-16-2-8-20(9-3-16)25-15-21(24)23-19-6-4-17(5-7-19)14-18-10-12-22-13-11-18/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyOZAPQJJEABDXTL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.00
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 2992862) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
PubChem CID2992862
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C21H20N2O2/c1-16-2-8-20(9-3-16)25-15-21(24)23-19-6-4-17(5-7-19)14-18-10-12-22-13-11-18/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyOZAPQJJEABDXTL-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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Related Compounds

2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
CID 66539248
2-(4-chlorophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]phenyl]acetamide
CID 157084020
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 2992862) is 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The InChIKey is OZAPQJJEABDXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-2-8-20(9-3-16)25-15-21(24)23-19-6-4-17(5-7-19)14-18-10-12-22-13-11-18/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
2-(4-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-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 2992862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).