2-ethyl-N-octylhexanamide

C16H33NO — CID 4170065

IUPAC2-ethyl-N-octylhexanamide
SMILESCCCCCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C16H33NO/c1-4-7-9-10-11-12-14-17-16(18)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3,(H,17,18)
InChIKeyLXAXZDMBYCYMCO-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.68
Rot. Bonds12

About 2-ethyl-N-octylhexanamide

2-ethyl-N-octylhexanamide (PubChem CID 4170065) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-ethyl-N-octylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-octylhexanamide
PubChem CID4170065
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-ethyl-N-octylhexanamide
SMILESCCCCCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C16H33NO/c1-4-7-9-10-11-12-14-17-16(18)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3,(H,17,18)
InChIKeyLXAXZDMBYCYMCO-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-N-octylhexanamide?
The IUPAC name of 2-ethyl-N-octylhexanamide (CID 4170065) is 2-ethyl-N-octylhexanamide.
What is the SMILES notation for 2-ethyl-N-octylhexanamide?
The canonical SMILES for 2-ethyl-N-octylhexanamide is CCCCCCCCNC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-octylhexanamide?
The InChIKey is LXAXZDMBYCYMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-7-9-10-11-12-14-17-16(18)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-N-octylhexanamide?
2-ethyl-N-octylhexanamide has a molecular weight of 255.45 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-octylhexanamide is sourced from PubChem (CID 4170065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).