N-(3-imidazol-1-ylpropyl)hexanamide

C12H21N3O — CID 4188384

IUPACN-(3-imidazol-1-ylpropyl)hexanamide
SMILESCCCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-2-3-4-6-12(16)14-7-5-9-15-10-8-13-11-15/h8,10-11H,2-7,9H2,1H3,(H,14,16)
InChIKeyXAGJDMFXBYAHPL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)hexanamide

N-(3-imidazol-1-ylpropyl)hexanamide (PubChem CID 4188384) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)hexanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)hexanamide
PubChem CID4188384
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-imidazol-1-ylpropyl)hexanamide
SMILESCCCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-2-3-4-6-12(16)14-7-5-9-15-10-8-13-11-15/h8,10-11H,2-7,9H2,1H3,(H,14,16)
InChIKeyXAGJDMFXBYAHPL-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)hexanamide 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-(3-imidazol-1-ylpropyl)hexanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)hexanamide (CID 4188384) is N-(3-imidazol-1-ylpropyl)hexanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)hexanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)hexanamide is CCCCCC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)hexanamide?
The InChIKey is XAGJDMFXBYAHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-6-12(16)14-7-5-9-15-10-8-13-11-15/h8,10-11H,2-7,9H2,1H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)hexanamide?
N-(3-imidazol-1-ylpropyl)hexanamide has a molecular weight of 223.32 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)hexanamide is sourced from PubChem (CID 4188384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).