N-hexyloctadec-9-enamide

C24H47NO — CID 57210632

IUPACN-hexyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NCCCCCC
InChIInChI=1S/C24H47NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(26)25-23-21-8-6-4-2/h13-14H,3-12,15-23H2,1-2H3,(H,25,26)
InChIKeyKCPHLJYXWNUWHA-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.72
Rot. Bonds20

About N-hexyloctadec-9-enamide

N-hexyloctadec-9-enamide (PubChem CID 57210632) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is N-hexyloctadec-9-enamide.

Molecular Properties

Compound NameN-hexyloctadec-9-enamide
PubChem CID57210632
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC NameN-hexyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NCCCCCC
InChIInChI=1S/C24H47NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(26)25-23-21-8-6-4-2/h13-14H,3-12,15-23H2,1-2H3,(H,25,26)
InChIKeyKCPHLJYXWNUWHA-UHFFFAOYSA-N
XLogP7.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-hexadecyloctadec-9-enamide;sulfuric acid
CID 173436685
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841

Frequently Asked Questions

What is the IUPAC name of N-hexyloctadec-9-enamide?
The IUPAC name of N-hexyloctadec-9-enamide (CID 57210632) is N-hexyloctadec-9-enamide.
What is the SMILES notation for N-hexyloctadec-9-enamide?
The canonical SMILES for N-hexyloctadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)NCCCCCC.
What is the InChIKey of N-hexyloctadec-9-enamide?
The InChIKey is KCPHLJYXWNUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(26)25-23-21-8-6-4-2/h13-14H,3-12,15-23H2,1-2H3,(H,25,26).
What are the key properties of N-hexyloctadec-9-enamide?
N-hexyloctadec-9-enamide has a molecular weight of 365.65 g/mol, XLogP of 7.72, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyloctadec-9-enamide is sourced from PubChem (CID 57210632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).