N-[3-(1H-imidazol-1-yl)propyl]-2-phenoxyacetamide

HCID 5081968

Notes Reactions

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Basic information

Standard SMILES: O=C(COc1ccccc1)NCCCn1ccnc1
InChIKey: VDQDGHAXRAPZRF-UHFFFAOYSA-N
Molecular formula: C14H17N3O2
Average molar mass: 259.3 g/mol

Names & identifiers

Preferred name: N-[3-(1H-imidazol-1-yl)propyl]-2-phenoxyacetamide
IUPAC: N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide

Names & synonyms

N-[3-(1H-imidazol-1-yl)propyl]-2-phenoxyacetamideN-(3-imidazol-1-ylpropyl)-2-phenoxyacetamideCBMicro_028791CHEMBL424325SCHEMBL10848211VDQDGHAXRAPZRF-UHFFFAOYSA-NSTK417379AKOS00270743693668-56-5BIM-0028679.P001N-(3-imidazolylpropyl)-2-phenoxyacetamideST50915611

Show more names

AK-968/11986492SR-01000217604SR-01000217604-1

Database identifiers

PubChem CID: 5081968
ChEMBL: CHEMBL424325

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 267

Related reactions

2 records

New reaction record

HRID 1209705As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1589181As productuspto-grants-1986_02

Compound notes

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