3-(2-aminophenyl)propanamide

C9H12N2O — CID 19031234

IUPAC3-(2-aminophenyl)propanamide
SMILESNC(=O)CCc1ccccc1N
InChIInChI=1S/C9H12N2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyOPESWHVXZZKOFO-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.69
Rot. Bonds3

About 3-(2-aminophenyl)propanamide

3-(2-aminophenyl)propanamide (PubChem CID 19031234) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(2-aminophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)propanamide
PubChem CID19031234
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(2-aminophenyl)propanamide
SMILESNC(=O)CCc1ccccc1N
InChIInChI=1S/C9H12N2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyOPESWHVXZZKOFO-UHFFFAOYSA-N
XLogP0.69
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)propanamide 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 3-(2-aminophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)propanamide (CID 19031234) is 3-(2-aminophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)propanamide is NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)propanamide?
The InChIKey is OPESWHVXZZKOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6,10H2,(H2,11,12).
What are the key properties of 3-(2-aminophenyl)propanamide?
3-(2-aminophenyl)propanamide has a molecular weight of 164.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)propanamide is sourced from PubChem (CID 19031234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).