N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide

C16H21N3O2 — CID 3238852

IUPACN-(3-imidazol-1-ylpropyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C16H21N3O2/c1-2-12-21-15-6-4-14(5-7-15)16(20)18-8-3-10-19-11-9-17-13-19/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,18,20)
InChIKeySKZGRNKDLUTLQL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.49
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide

N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide (PubChem CID 3238852) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-propoxybenzamide
PubChem CID3238852
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C16H21N3O2/c1-2-12-21-15-6-4-14(5-7-15)16(20)18-8-3-10-19-11-9-17-13-19/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,18,20)
InChIKeySKZGRNKDLUTLQL-UHFFFAOYSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide 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)-4-propoxybenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide (CID 3238852) is N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide?
The InChIKey is SKZGRNKDLUTLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-12-21-15-6-4-14(5-7-15)16(20)18-8-3-10-19-11-9-17-13-19/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide?
N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide has a molecular weight of 287.36 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-propoxybenzamide is sourced from PubChem (CID 3238852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).