2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

C15H16N4O2 — CID 4072698

IUPAC2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H16N4O2/c16-10-13-2-4-14(5-3-13)21-11-15(20)18-6-1-8-19-9-7-17-12-19/h2-5,7,9,12H,1,6,8,11H2,(H,18,20)
InChIKeyDPDMWQFQUQXEGA-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.34
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4072698) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4072698
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H16N4O2/c16-10-13-2-4-14(5-3-13)21-11-15(20)18-6-1-8-19-9-7-17-12-19/h2-5,7,9,12H,1,6,8,11H2,(H,18,20)
InChIKeyDPDMWQFQUQXEGA-UHFFFAOYSA-N
XLogP1.34
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (CID 4072698) is 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is N#Cc1ccc(OCC(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is DPDMWQFQUQXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-10-13-2-4-14(5-3-13)21-11-15(20)18-6-1-8-19-9-7-17-12-19/h2-5,7,9,12H,1,6,8,11H2,(H,18,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4072698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).