8-(2-methylimidazol-1-yl)-N-propyloctanamide

C15H27N3O — CID 54465832

IUPAC8-(2-methylimidazol-1-yl)-N-propyloctanamide
SMILESCCCNC(=O)CCCCCCCn1ccnc1C
InChIInChI=1S/C15H27N3O/c1-3-10-17-15(19)9-7-5-4-6-8-12-18-13-11-16-14(18)2/h11,13H,3-10,12H2,1-2H3,(H,17,19)
InChIKeyOPFIGUKXHPJGCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.06
Rot. Bonds10

About 8-(2-methylimidazol-1-yl)-N-propyloctanamide

8-(2-methylimidazol-1-yl)-N-propyloctanamide (PubChem CID 54465832) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 8-(2-methylimidazol-1-yl)-N-propyloctanamide.

Molecular Properties

Compound Name8-(2-methylimidazol-1-yl)-N-propyloctanamide
PubChem CID54465832
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name8-(2-methylimidazol-1-yl)-N-propyloctanamide
SMILESCCCNC(=O)CCCCCCCn1ccnc1C
InChIInChI=1S/C15H27N3O/c1-3-10-17-15(19)9-7-5-4-6-8-12-18-13-11-16-14(18)2/h11,13H,3-10,12H2,1-2H3,(H,17,19)
InChIKeyOPFIGUKXHPJGCW-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylimidazol-1-yl)-N-propyloctanamide?
The IUPAC name of 8-(2-methylimidazol-1-yl)-N-propyloctanamide (CID 54465832) is 8-(2-methylimidazol-1-yl)-N-propyloctanamide.
What is the SMILES notation for 8-(2-methylimidazol-1-yl)-N-propyloctanamide?
The canonical SMILES for 8-(2-methylimidazol-1-yl)-N-propyloctanamide is CCCNC(=O)CCCCCCCn1ccnc1C.
What is the InChIKey of 8-(2-methylimidazol-1-yl)-N-propyloctanamide?
The InChIKey is OPFIGUKXHPJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-10-17-15(19)9-7-5-4-6-8-12-18-13-11-16-14(18)2/h11,13H,3-10,12H2,1-2H3,(H,17,19).
What are the key properties of 8-(2-methylimidazol-1-yl)-N-propyloctanamide?
8-(2-methylimidazol-1-yl)-N-propyloctanamide has a molecular weight of 265.40 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylimidazol-1-yl)-N-propyloctanamide is sourced from PubChem (CID 54465832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).