2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide

C21H26N2O2 — CID 24820023

IUPAC2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H26N2O2/c1-16-9-8-10-17(2)21(16)25-15-20(24)22-18-11-4-5-12-19(18)23-13-6-3-7-14-23/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,22,24)
InChIKeyHFMAHKZHWMDPFO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide

2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 24820023) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID24820023
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H26N2O2/c1-16-9-8-10-17(2)21(16)25-15-20(24)22-18-11-4-5-12-19(18)23-13-6-3-7-14-23/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,22,24)
InChIKeyHFMAHKZHWMDPFO-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide (CID 24820023) is 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is HFMAHKZHWMDPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-9-8-10-17(2)21(16)25-15-20(24)22-18-11-4-5-12-19(18)23-13-6-3-7-14-23/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 24820023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).