N-[3-(1H-imidazol-2-yl)propyl]octanamide

C14H25N3O — CID 70046300

IUPACN-[3-(1H-imidazol-2-yl)propyl]octanamide
SMILESCCCCCCCC(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C14H25N3O/c1-2-3-4-5-6-9-14(18)17-10-7-8-13-15-11-12-16-13/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNHHVFBSAJWZYTE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.82
Rot. Bonds10

About N-[3-(1H-imidazol-2-yl)propyl]octanamide

N-[3-(1H-imidazol-2-yl)propyl]octanamide (PubChem CID 70046300) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]octanamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]octanamide
PubChem CID70046300
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]octanamide
SMILESCCCCCCCC(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C14H25N3O/c1-2-3-4-5-6-9-14(18)17-10-7-8-13-15-11-12-16-13/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNHHVFBSAJWZYTE-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.82
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 N-[3-(1H-imidazol-2-yl)propyl]octanamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]octanamide (CID 70046300) is N-[3-(1H-imidazol-2-yl)propyl]octanamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]octanamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]octanamide is CCCCCCCC(=O)NCCCc1ncc[nH]1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]octanamide?
The InChIKey is NHHVFBSAJWZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-3-4-5-6-9-14(18)17-10-7-8-13-15-11-12-16-13/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]octanamide?
N-[3-(1H-imidazol-2-yl)propyl]octanamide has a molecular weight of 251.37 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]octanamide is sourced from PubChem (CID 70046300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).