N-(2-cyanophenyl)-4-hexoxybutanamide

C17H24N2O2 — CID 43128141

IUPACN-(2-cyanophenyl)-4-hexoxybutanamide
SMILESCCCCCCOCCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H24N2O2/c1-2-3-4-7-12-21-13-8-11-17(20)19-16-10-6-5-9-15(16)14-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20)
InChIKeyJFDLFFQLNFBVDS-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.87
Rot. Bonds10

About N-(2-cyanophenyl)-4-hexoxybutanamide

N-(2-cyanophenyl)-4-hexoxybutanamide (PubChem CID 43128141) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-hexoxybutanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-hexoxybutanamide
PubChem CID43128141
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-cyanophenyl)-4-hexoxybutanamide
SMILESCCCCCCOCCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H24N2O2/c1-2-3-4-7-12-21-13-8-11-17(20)19-16-10-6-5-9-15(16)14-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20)
InChIKeyJFDLFFQLNFBVDS-UHFFFAOYSA-N
XLogP3.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanophenyl)-4-hexoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
CID 103283763
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 64690595
N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
CID 29001628
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-hexoxybutanamide?
The IUPAC name of N-(2-cyanophenyl)-4-hexoxybutanamide (CID 43128141) is N-(2-cyanophenyl)-4-hexoxybutanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-hexoxybutanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-hexoxybutanamide is CCCCCCOCCCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-4-hexoxybutanamide?
The InChIKey is JFDLFFQLNFBVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-4-7-12-21-13-8-11-17(20)19-16-10-6-5-9-15(16)14-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-4-hexoxybutanamide?
N-(2-cyanophenyl)-4-hexoxybutanamide has a molecular weight of 288.39 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-hexoxybutanamide is sourced from PubChem (CID 43128141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).