2-hexyloctanamide

C14H29NO — CID 87302701

IUPAC2-hexyloctanamide
SMILESCCCCCCC(CCCCCC)C(N)=O
InChIInChI=1S/C14H29NO/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyQSVRQKNANWOTFK-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.03
Rot. Bonds11

About 2-hexyloctanamide

2-hexyloctanamide (PubChem CID 87302701) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-hexyloctanamide.

Molecular Properties

Compound Name2-hexyloctanamide
PubChem CID87302701
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-hexyloctanamide
SMILESCCCCCCC(CCCCCC)C(N)=O
InChIInChI=1S/C14H29NO/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyQSVRQKNANWOTFK-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.03
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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Related Compounds

2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467
acetic acid;2-butylhexadecanamide
CID 174441858
2-undecylhexanediamide
CID 174629940
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
azane;2-ethyldodecanamide
CID 174462460
2-hexadecylicos-11-enamide
CID 173011844
12-carbamoyltricosanoic acid
CID 118615002

Frequently Asked Questions

What is the IUPAC name of 2-hexyloctanamide?
The IUPAC name of 2-hexyloctanamide (CID 87302701) is 2-hexyloctanamide.
What is the SMILES notation for 2-hexyloctanamide?
The canonical SMILES for 2-hexyloctanamide is CCCCCCC(CCCCCC)C(N)=O.
What is the InChIKey of 2-hexyloctanamide?
The InChIKey is QSVRQKNANWOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of 2-hexyloctanamide?
2-hexyloctanamide has a molecular weight of 227.39 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyloctanamide is sourced from PubChem (CID 87302701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).