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

C15H19N3O2 — CID 2931168

IUPAC2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19)
InChIKeyVICNARNGBITPFN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.10
Rot. Bonds7

About 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide

2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2931168) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2931168
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19)
InChIKeyVICNARNGBITPFN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide (CID 2931168) is 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide is CCOc1ccccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is VICNARNGBITPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19).
What are the key properties of 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
2-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 2-ethoxy-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2931168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).