N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide

C13H15N3O2 — CID 10037511

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C13H15N3O2/c17-13(9-18-12-4-2-1-3-5-12)15-7-6-11-8-14-10-16-11/h1-5,8,10H,6-7,9H2,(H,14,16)(H,15,17)
InChIKeyDYQCQBZPYVZWBB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.15
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide (PubChem CID 10037511) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide
PubChem CID10037511
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C13H15N3O2/c17-13(9-18-12-4-2-1-3-5-12)15-7-6-11-8-14-10-16-11/h1-5,8,10H,6-7,9H2,(H,14,16)(H,15,17)
InChIKeyDYQCQBZPYVZWBB-UHFFFAOYSA-N
XLogP1.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide (CID 10037511) is N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is DYQCQBZPYVZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(9-18-12-4-2-1-3-5-12)15-7-6-11-8-14-10-16-11/h1-5,8,10H,6-7,9H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 245.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 10037511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).