3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide

C22H35N3O — CID 11302785

IUPAC3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C22H35N3O/c1-2-3-4-5-8-23-20(26)7-6-19-15-24-21(25-19)22-12-16-9-17(13-22)11-18(10-16)14-22/h15-18H,2-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLGYIQODTBZZGSX-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.51
Rot. Bonds9

About 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide

3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide (PubChem CID 11302785) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide.

Molecular Properties

Compound Name3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide
PubChem CID11302785
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C22H35N3O/c1-2-3-4-5-8-23-20(26)7-6-19-15-24-21(25-19)22-12-16-9-17(13-22)11-18(10-16)14-22/h15-18H,2-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLGYIQODTBZZGSX-UHFFFAOYSA-N
XLogP4.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.51
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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Related Compounds

5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
CID 25178089
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide;hydrochloride
CID 25178088
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-hexylpropanediamide
CID 3607909
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-undecyloxamide
CID 3122887
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide?
The IUPAC name of 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide (CID 11302785) is 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide.
What is the SMILES notation for 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide?
The canonical SMILES for 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide is CCCCCCNC(=O)CCc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide?
The InChIKey is LGYIQODTBZZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-2-3-4-5-8-23-20(26)7-6-19-15-24-21(25-19)22-12-16-9-17(13-22)11-18(10-16)14-22/h15-18H,2-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide?
3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide has a molecular weight of 357.54 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide is sourced from PubChem (CID 11302785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).