N-hexyl-2-imidazol-1-ylacetamide

C11H19N3O — CID 45269421

IUPACN-hexyl-2-imidazol-1-ylacetamide
SMILESCCCCCCNC(=O)Cn1ccnc1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-13-11(15)9-14-8-7-12-10-14/h7-8,10H,2-6,9H2,1H3,(H,13,15)
InChIKeyPXBJNUZTSCHEGM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds7

About N-hexyl-2-imidazol-1-ylacetamide

N-hexyl-2-imidazol-1-ylacetamide (PubChem CID 45269421) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-hexyl-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-hexyl-2-imidazol-1-ylacetamide
PubChem CID45269421
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-hexyl-2-imidazol-1-ylacetamide
SMILESCCCCCCNC(=O)Cn1ccnc1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-13-11(15)9-14-8-7-12-10-14/h7-8,10H,2-6,9H2,1H3,(H,13,15)
InChIKeyPXBJNUZTSCHEGM-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-hexyl-2-imidazol-1-ylacetamide?
The IUPAC name of N-hexyl-2-imidazol-1-ylacetamide (CID 45269421) is N-hexyl-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-hexyl-2-imidazol-1-ylacetamide?
The canonical SMILES for N-hexyl-2-imidazol-1-ylacetamide is CCCCCCNC(=O)Cn1ccnc1.
What is the InChIKey of N-hexyl-2-imidazol-1-ylacetamide?
The InChIKey is PXBJNUZTSCHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-6-13-11(15)9-14-8-7-12-10-14/h7-8,10H,2-6,9H2,1H3,(H,13,15).
What are the key properties of N-hexyl-2-imidazol-1-ylacetamide?
N-hexyl-2-imidazol-1-ylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-imidazol-1-ylacetamide is sourced from PubChem (CID 45269421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).