2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide

C17H16N2O3 — CID 4947897

IUPAC2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccccc1O
InChIInChI=1S/C17H16N2O3/c1-12(20)18-15(11-13-7-3-2-4-8-13)17(22)19-14-9-5-6-10-16(14)21/h2-11,21H,1H3,(H,18,20)(H,19,22)
InChIKeyXGZBGTJVZRYQBV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.51
Rot. Bonds4

About 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide

2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide (PubChem CID 4947897) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
PubChem CID4947897
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccccc1O
InChIInChI=1S/C17H16N2O3/c1-12(20)18-15(11-13-7-3-2-4-8-13)17(22)19-14-9-5-6-10-16(14)21/h2-11,21H,1H3,(H,18,20)(H,19,22)
InChIKeyXGZBGTJVZRYQBV-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide 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-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide (CID 4947897) is 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide is CC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccccc1O.
What is the InChIKey of 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is XGZBGTJVZRYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)18-15(11-13-7-3-2-4-8-13)17(22)19-14-9-5-6-10-16(14)21/h2-11,21H,1H3,(H,18,20)(H,19,22).
What are the key properties of 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide?
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 4947897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).