2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide

C14H25N3O — CID 3023068

IUPAC2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H25N3O/c1-3-5-7-13(4-2)14(18)16-8-6-10-17-11-9-15-12-17/h9,11-13H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyNPSRAWALWBFKEK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds9

About 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide

2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide (PubChem CID 3023068) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide
PubChem CID3023068
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H25N3O/c1-3-5-7-13(4-2)14(18)16-8-6-10-17-11-9-15-12-17/h9,11-13H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyNPSRAWALWBFKEK-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.61
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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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-heptyl-2-imidazol-1-yl-acetamide
CID 44139805
N-Hexyl-2-(1H-imidazol-1-yl)acetamide
CID 45269421
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
3,3-Dicyclopropyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53622851
1-(1-Imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71894674
N-[rel-(3R,4S)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide dihydrochloride
CID 72852975
N-(1-ethylimidazol-4-yl)cyclobutanecarboxamide
CID 137640756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide?
The IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide (CID 3023068) is 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide is CCCCC(CC)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide?
The InChIKey is NPSRAWALWBFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-7-13(4-2)14(18)16-8-6-10-17-11-9-15-12-17/h9,11-13H,3-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide?
2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide has a molecular weight of 251.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-imidazol-1-ylpropyl)hexanamide is sourced from PubChem (CID 3023068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).