4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide

C15H19N3O2 — CID 3246743

IUPAC4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-6-4-13(5-7-14)15(19)17-8-3-10-18-11-9-16-12-18/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,17,19)
InChIKeyVEEJOOIERHRBNC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.10
Rot. Bonds7

About 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide

4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 3246743) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID3246743
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-6-4-13(5-7-14)15(19)17-8-3-10-18-11-9-16-12-18/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,17,19)
InChIKeyVEEJOOIERHRBNC-UHFFFAOYSA-N
XLogP2.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide 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 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide (CID 3246743) is 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide is CCOc1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is VEEJOOIERHRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-14-6-4-13(5-7-14)15(19)17-8-3-10-18-11-9-16-12-18/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,17,19).
What are the key properties of 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 3246743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).