2-cyano-N-(3-phenylpropyl)acetamide

C12H14N2O — CID 4295697

IUPAC2-cyano-N-(3-phenylpropyl)acetamide
SMILESN#CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C12H14N2O/c13-9-8-12(15)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8,10H2,(H,14,15)
InChIKeyWKWBOZPKWLHXMR-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.65
Rot. Bonds5

About 2-cyano-N-(3-phenylpropyl)acetamide

2-cyano-N-(3-phenylpropyl)acetamide (PubChem CID 4295697) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-cyano-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-phenylpropyl)acetamide
PubChem CID4295697
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-cyano-N-(3-phenylpropyl)acetamide
SMILESN#CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C12H14N2O/c13-9-8-12(15)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8,10H2,(H,14,15)
InChIKeyWKWBOZPKWLHXMR-UHFFFAOYSA-N
XLogP1.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyano-N-(3-phenylpropyl)acetamide 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-cyano-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-cyano-N-(3-phenylpropyl)acetamide (CID 4295697) is 2-cyano-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-phenylpropyl)acetamide is N#CCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-cyano-N-(3-phenylpropyl)acetamide?
The InChIKey is WKWBOZPKWLHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-8-12(15)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8,10H2,(H,14,15).
What are the key properties of 2-cyano-N-(3-phenylpropyl)acetamide?
2-cyano-N-(3-phenylpropyl)acetamide has a molecular weight of 202.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 4295697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).