2-hexyl-2-methyloctanamide

C15H31NO — CID 87709624

IUPAC2-hexyl-2-methyloctanamide
SMILESCCCCCCC(C)(CCCCCC)C(N)=O
InChIInChI=1S/C15H31NO/c1-4-6-8-10-12-15(3,14(16)17)13-11-9-7-5-2/h4-13H2,1-3H3,(H2,16,17)
InChIKeyXDDCOWSJGQCFIM-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.42
Rot. Bonds11

About 2-hexyl-2-methyloctanamide

2-hexyl-2-methyloctanamide (PubChem CID 87709624) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-hexyl-2-methyloctanamide.

Molecular Properties

Compound Name2-hexyl-2-methyloctanamide
PubChem CID87709624
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-hexyl-2-methyloctanamide
SMILESCCCCCCC(C)(CCCCCC)C(N)=O
InChIInChI=1S/C15H31NO/c1-4-6-8-10-12-15(3,14(16)17)13-11-9-7-5-2/h4-13H2,1-3H3,(H2,16,17)
InChIKeyXDDCOWSJGQCFIM-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hexyl-2-methyloctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methyloctanamide?
The IUPAC name of 2-hexyl-2-methyloctanamide (CID 87709624) is 2-hexyl-2-methyloctanamide.
What is the SMILES notation for 2-hexyl-2-methyloctanamide?
The canonical SMILES for 2-hexyl-2-methyloctanamide is CCCCCCC(C)(CCCCCC)C(N)=O.
What is the InChIKey of 2-hexyl-2-methyloctanamide?
The InChIKey is XDDCOWSJGQCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-8-10-12-15(3,14(16)17)13-11-9-7-5-2/h4-13H2,1-3H3,(H2,16,17).
What are the key properties of 2-hexyl-2-methyloctanamide?
2-hexyl-2-methyloctanamide has a molecular weight of 241.42 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyloctanamide is sourced from PubChem (CID 87709624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).