2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide

C16H18N2O2 — CID 798146

IUPAC2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12(2)13-3-5-15(6-4-13)20-11-16(19)18-14-7-9-17-10-8-14/h3-10,12H,11H2,1-2H3,(H,17,18,19)
InChIKeyPDPFAKWKYVVSRQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide

2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 798146) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID798146
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12(2)13-3-5-15(6-4-13)20-11-16(19)18-14-7-9-17-10-8-14/h3-10,12H,11H2,1-2H3,(H,17,18,19)
InChIKeyPDPFAKWKYVVSRQ-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide (CID 798146) is 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide is CC(C)c1ccc(OCC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is PDPFAKWKYVVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(2)13-3-5-15(6-4-13)20-11-16(19)18-14-7-9-17-10-8-14/h3-10,12H,11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide?
2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 270.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 798146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).