2-(1H-imidazol-5-yl)-N-octylacetamide

C13H23N3O — CID 23630041

IUPAC2-(1H-imidazol-5-yl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-15-13(17)9-12-10-14-11-16-12/h10-11H,2-9H2,1H3,(H,14,16)(H,15,17)
InChIKeySQSFOCSUVJZLGH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.43
Rot. Bonds9

About 2-(1H-imidazol-5-yl)-N-octylacetamide

2-(1H-imidazol-5-yl)-N-octylacetamide (PubChem CID 23630041) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-octylacetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-octylacetamide
PubChem CID23630041
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(1H-imidazol-5-yl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-15-13(17)9-12-10-14-11-16-12/h10-11H,2-9H2,1H3,(H,14,16)(H,15,17)
InChIKeySQSFOCSUVJZLGH-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-imidazol-5-yl)-N-octylacetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-octylacetamide (CID 23630041) is 2-(1H-imidazol-5-yl)-N-octylacetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-octylacetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-octylacetamide is CCCCCCCCNC(=O)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-octylacetamide?
The InChIKey is SQSFOCSUVJZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-15-13(17)9-12-10-14-11-16-12/h10-11H,2-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-(1H-imidazol-5-yl)-N-octylacetamide?
2-(1H-imidazol-5-yl)-N-octylacetamide has a molecular weight of 237.35 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-octylacetamide is sourced from PubChem (CID 23630041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).