2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide

C13H15NO2 — CID 22866421

IUPAC2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
SMILESCC(C)C(=O)N/C(C=O)=C/c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(2)13(16)14-12(9-15)8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,16)/b12-8+
InChIKeySZJSUVNJGBRDAI-XYOKQWHBSA-N
MW217.27 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide

2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide (PubChem CID 22866421) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
PubChem CID22866421
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
SMILESCC(C)C(=O)N/C(C=O)=C/c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(2)13(16)14-12(9-15)8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,16)/b12-8+
InChIKeySZJSUVNJGBRDAI-XYOKQWHBSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide (CID 22866421) is 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide is CC(C)C(=O)N/C(C=O)=C/c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
The InChIKey is SZJSUVNJGBRDAI-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(2)13(16)14-12(9-15)8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,16)/b12-8+.
What are the key properties of 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide has a molecular weight of 217.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide is sourced from PubChem (CID 22866421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).