N-hydroxy-3-phenylpropanamide

C9H11NO2 — CID 4118131

IUPACN-hydroxy-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NO
InChIInChI=1S/C9H11NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKeyHYBGBWAPFWWJRE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.12
Rot. Bonds3

About N-hydroxy-3-phenylpropanamide

N-hydroxy-3-phenylpropanamide (PubChem CID 4118131) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-phenylpropanamide
PubChem CID4118131
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-hydroxy-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NO
InChIInChI=1S/C9H11NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKeyHYBGBWAPFWWJRE-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-phenylpropanamide 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-hydroxy-3-phenylpropanamide?
The IUPAC name of N-hydroxy-3-phenylpropanamide (CID 4118131) is N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-3-phenylpropanamide is O=C(CCc1ccccc1)NO.
What is the InChIKey of N-hydroxy-3-phenylpropanamide?
The InChIKey is HYBGBWAPFWWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11).
What are the key properties of N-hydroxy-3-phenylpropanamide?
N-hydroxy-3-phenylpropanamide has a molecular weight of 165.19 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 4118131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).