2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

C24H20N2O3 — CID 18283760

IUPAC2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1
InChIInChI=1S/C24H20N2O3/c1-2-23(27)19-10-13-22(14-11-19)29-17-24(28)26-21-8-5-6-18(16-21)9-12-20-7-3-4-15-25-20/h3-8,10-11,13-16H,2,17H2,1H3,(H,26,28)
InChIKeyAIPYYXFAZHSTSO-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (PubChem CID 18283760) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
PubChem CID18283760
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1
InChIInChI=1S/C24H20N2O3/c1-2-23(27)19-10-13-22(14-11-19)29-17-24(28)26-21-8-5-6-18(16-21)9-12-20-7-3-4-15-25-20/h3-8,10-11,13-16H,2,17H2,1H3,(H,26,28)
InChIKeyAIPYYXFAZHSTSO-UHFFFAOYSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-phenoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 134053013
N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 55836547
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 78889053
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
2,4-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 31404262
methyl 3-[2-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18290502
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 55539689
4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
methyl N-methyl-N-[4-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]phenyl]carbamate
CID 168957709
2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
CID 46554231

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (CID 18283760) is 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is CCC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The InChIKey is AIPYYXFAZHSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-2-23(27)19-10-13-22(14-11-19)29-17-24(28)26-21-8-5-6-18(16-21)9-12-20-7-3-4-15-25-20/h3-8,10-11,13-16H,2,17H2,1H3,(H,26,28).
What are the key properties of 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 18283760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).