2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide

C15H27N3O — CID 137394839

IUPAC2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide
SMILESCCCCCCC(C)(C)C(=O)NCc1nc[nH]c1C
InChIInChI=1S/C15H27N3O/c1-5-6-7-8-9-15(3,4)14(19)16-10-13-12(2)17-11-18-13/h11H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUGKGWSAUCZLPIA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.33
Rot. Bonds8

About 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide

2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide (PubChem CID 137394839) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide
PubChem CID137394839
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide
SMILESCCCCCCC(C)(C)C(=O)NCc1nc[nH]c1C
InChIInChI=1S/C15H27N3O/c1-5-6-7-8-9-15(3,4)14(19)16-10-13-12(2)17-11-18-13/h11H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUGKGWSAUCZLPIA-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.33
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 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide (CID 137394839) is 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide is CCCCCCC(C)(C)C(=O)NCc1nc[nH]c1C.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide?
The InChIKey is UGKGWSAUCZLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-6-7-8-9-15(3,4)14(19)16-10-13-12(2)17-11-18-13/h11H,5-10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide?
2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide has a molecular weight of 265.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]octanamide is sourced from PubChem (CID 137394839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).