N-hexylhexanamide

C12H25NO — CID 25113

IUPACN-hexylhexanamide
SMILESCCCCCCNC(=O)CCCCC
InChIInChI=1S/C12H25NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyCKQIYVUVMRSSLI-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.26
Rot. Bonds9

About N-hexylhexanamide

N-hexylhexanamide (PubChem CID 25113) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-hexylhexanamide.

Molecular Properties

Compound NameN-hexylhexanamide
PubChem CID25113
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-hexylhexanamide
SMILESCCCCCCNC(=O)CCCCC
InChIInChI=1S/C12H25NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyCKQIYVUVMRSSLI-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.26
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 N-hexylhexanamide?
The IUPAC name of N-hexylhexanamide (CID 25113) is N-hexylhexanamide.
What is the SMILES notation for N-hexylhexanamide?
The canonical SMILES for N-hexylhexanamide is CCCCCCNC(=O)CCCCC.
What is the InChIKey of N-hexylhexanamide?
The InChIKey is CKQIYVUVMRSSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of N-hexylhexanamide?
N-hexylhexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexanamide is sourced from PubChem (CID 25113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).