N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide

C13H15NO2 — CID 86025599

IUPACN-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide
SMILESC=C(c1ccc(C(C)=O)cc1)N(C)C(C)=O
InChIInChI=1S/C13H15NO2/c1-9(14(4)11(3)16)12-5-7-13(8-6-12)10(2)15/h5-8H,1H2,2-4H3
InChIKeyOWRHUWNGOCGPBM-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide

N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide (PubChem CID 86025599) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide
PubChem CID86025599
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide
SMILESC=C(c1ccc(C(C)=O)cc1)N(C)C(C)=O
InChIInChI=1S/C13H15NO2/c1-9(14(4)11(3)16)12-5-7-13(8-6-12)10(2)15/h5-8H,1H2,2-4H3
InChIKeyOWRHUWNGOCGPBM-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide 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 N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide?
The IUPAC name of N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide (CID 86025599) is N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide?
The canonical SMILES for N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide is C=C(c1ccc(C(C)=O)cc1)N(C)C(C)=O.
What is the InChIKey of N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide?
The InChIKey is OWRHUWNGOCGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(14(4)11(3)16)12-5-7-13(8-6-12)10(2)15/h5-8H,1H2,2-4H3.
What are the key properties of N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide?
N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide has a molecular weight of 217.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenyl)ethenyl]-N-methylacetamide is sourced from PubChem (CID 86025599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).