2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide

C18H20N2O3 — CID 2595155

IUPAC2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-17(21)14-6-8-16(9-7-14)23-13-18(22)20-12-10-15-5-3-4-11-19-15/h3-9,11H,2,10,12-13H2,1H3,(H,20,22)
InChIKeyBOQUWFSGOSMJFT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.41
Rot. Bonds8

About 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide

2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 2595155) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID2595155
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-17(21)14-6-8-16(9-7-14)23-13-18(22)20-12-10-15-5-3-4-11-19-15/h3-9,11H,2,10,12-13H2,1H3,(H,20,22)
InChIKeyBOQUWFSGOSMJFT-UHFFFAOYSA-N
XLogP2.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide 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-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide (CID 2595155) is 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide is CCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is BOQUWFSGOSMJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-17(21)14-6-8-16(9-7-14)23-13-18(22)20-12-10-15-5-3-4-11-19-15/h3-9,11H,2,10,12-13H2,1H3,(H,20,22).
What are the key properties of 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 2595155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).