hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide

C39H74N2O2 — CID 156747342

IUPAChexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCCCC.CCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C23H41NO.C16H33NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(25)24-22-20-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5,7,9-10,12-13H,3-4,6,8,11,14-22H2,1-2H3,(H,24,25);2-15H2,1H3,(H2,17,18)/b7-5-,10-9-,13-12-;
InChIKeyHTEZFRXERMRETD-TTYJXLOASA-N
MW603.03 g/mol
LogP11.84
Rot. Bonds31

About hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide

hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide (PubChem CID 156747342) has the molecular formula C39H74N2O2 and a molecular weight of 603.03 g/mol. Its IUPAC name is hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide.

Molecular Properties

Compound Namehexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide
PubChem CID156747342
Molecular FormulaC39H74N2O2
Molecular Weight603.03 g/mol
Exact Mass602.58
IUPAC Namehexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCCCC.CCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C23H41NO.C16H33NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(25)24-22-20-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5,7,9-10,12-13H,3-4,6,8,11,14-22H2,1-2H3,(H,24,25);2-15H2,1H3,(H2,17,18)/b7-5-,10-9-,13-12-;
InChIKeyHTEZFRXERMRETD-TTYJXLOASA-N
XLogP11.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.03
LogP ≤ 511.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366
(Z)-N-hexyltetradec-9-enamide;tetradecanamide
CID 156747401
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
N-hexyloctadec-9-enamide
CID 57210632
(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
N'-octylhexanediamide
CID 18377759

Frequently Asked Questions

What is the IUPAC name of hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide?
The IUPAC name of hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide (CID 156747342) is hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide.
What is the SMILES notation for hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide?
The canonical SMILES for hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCCCC.CCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide?
The InChIKey is HTEZFRXERMRETD-TTYJXLOASA-N. The full InChI is InChI=1S/C23H41NO.C16H33NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(25)24-22-20-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5,7,9-10,12-13H,3-4,6,8,11,14-22H2,1-2H3,(H,24,25);2-15H2,1H3,(H2,17,18)/b7-5-,10-9-,13-12-;.
What are the key properties of hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide?
hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide has a molecular weight of 603.03 g/mol, XLogP of 11.84, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide is sourced from PubChem (CID 156747342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).