3-imidazol-1-yl-N-propyloctanamide

C14H25N3O — CID 67900552

IUPAC3-imidazol-1-yl-N-propyloctanamide
SMILESCCCCCC(CC(=O)NCCC)n1ccnc1
InChIInChI=1S/C14H25N3O/c1-3-5-6-7-13(17-10-9-15-12-17)11-14(18)16-8-4-2/h9-10,12-13H,3-8,11H2,1-2H3,(H,16,18)
InChIKeyRPXWYNXKVWTAPJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.92
Rot. Bonds9

About 3-imidazol-1-yl-N-propyloctanamide

3-imidazol-1-yl-N-propyloctanamide (PubChem CID 67900552) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-propyloctanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-propyloctanamide
PubChem CID67900552
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-imidazol-1-yl-N-propyloctanamide
SMILESCCCCCC(CC(=O)NCCC)n1ccnc1
InChIInChI=1S/C14H25N3O/c1-3-5-6-7-13(17-10-9-15-12-17)11-14(18)16-8-4-2/h9-10,12-13H,3-8,11H2,1-2H3,(H,16,18)
InChIKeyRPXWYNXKVWTAPJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
2-(3-imidazol-1-ylhexanoylamino)acetic acid
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10-imidazol-1-yloctadecanoic acid
CID 86691655
1-docosan-5-ylimidazole
CID 135305816
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
1-octadecan-4-ylimidazole
CID 174516132
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
3-imidazol-1-yldodecan-1-ol
CID 174685778
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-propyloctanamide?
The IUPAC name of 3-imidazol-1-yl-N-propyloctanamide (CID 67900552) is 3-imidazol-1-yl-N-propyloctanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-propyloctanamide?
The canonical SMILES for 3-imidazol-1-yl-N-propyloctanamide is CCCCCC(CC(=O)NCCC)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-propyloctanamide?
The InChIKey is RPXWYNXKVWTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-6-7-13(17-10-9-15-12-17)11-14(18)16-8-4-2/h9-10,12-13H,3-8,11H2,1-2H3,(H,16,18).
What are the key properties of 3-imidazol-1-yl-N-propyloctanamide?
3-imidazol-1-yl-N-propyloctanamide has a molecular weight of 251.37 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-propyloctanamide is sourced from PubChem (CID 67900552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).