N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide

C14H17N3O2 — CID 5081968

IUPACN-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C14H17N3O2/c18-14(11-19-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18)
InChIKeyVDQDGHAXRAPZRF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide

N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide (PubChem CID 5081968) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide
PubChem CID5081968
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C14H17N3O2/c18-14(11-19-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18)
InChIKeyVDQDGHAXRAPZRF-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.47
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)-2-phenoxyacetamide 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)-2-phenoxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide (CID 5081968) is N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide?
The InChIKey is VDQDGHAXRAPZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(11-19-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.47, 7 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)-2-phenoxyacetamide is sourced from PubChem (CID 5081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).