N-(16-hydroxyoctadec-14-enyl)tetradecanamide

C32H63NO2 — CID 87918867

IUPACN-(16-hydroxyoctadec-14-enyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCC=CC(O)CC
InChIInChI=1S/C32H63NO2/c1-3-5-6-7-8-9-13-17-20-23-26-29-32(35)33-30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-31(34)4-2/h25,28,31,34H,3-24,26-27,29-30H2,1-2H3,(H,33,35)
InChIKeyPNURQSYMZBAIPB-UHFFFAOYSA-N
MW493.86 g/mol
LogP9.81
Rot. Bonds28

About N-(16-hydroxyoctadec-14-enyl)tetradecanamide

N-(16-hydroxyoctadec-14-enyl)tetradecanamide (PubChem CID 87918867) has the molecular formula C32H63NO2 and a molecular weight of 493.86 g/mol. Its IUPAC name is N-(16-hydroxyoctadec-14-enyl)tetradecanamide.

Molecular Properties

Compound NameN-(16-hydroxyoctadec-14-enyl)tetradecanamide
PubChem CID87918867
Molecular FormulaC32H63NO2
Molecular Weight493.86 g/mol
Exact Mass493.49
IUPAC NameN-(16-hydroxyoctadec-14-enyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCC=CC(O)CC
InChIInChI=1S/C32H63NO2/c1-3-5-6-7-8-9-13-17-20-23-26-29-32(35)33-30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-31(34)4-2/h25,28,31,34H,3-24,26-27,29-30H2,1-2H3,(H,33,35)
InChIKeyPNURQSYMZBAIPB-UHFFFAOYSA-N
XLogP9.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.86
LogP ≤ 59.81
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-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
N-hexyloctadec-9-enamide
CID 57210632
(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-[(Z,2S)-2-hydroxyheptadec-3-enyl]hexadecanamide
CID 172946526
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-butyloctadec-9-enamide
CID 6436496

Frequently Asked Questions

What is the IUPAC name of N-(16-hydroxyoctadec-14-enyl)tetradecanamide?
The IUPAC name of N-(16-hydroxyoctadec-14-enyl)tetradecanamide (CID 87918867) is N-(16-hydroxyoctadec-14-enyl)tetradecanamide.
What is the SMILES notation for N-(16-hydroxyoctadec-14-enyl)tetradecanamide?
The canonical SMILES for N-(16-hydroxyoctadec-14-enyl)tetradecanamide is CCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCC=CC(O)CC.
What is the InChIKey of N-(16-hydroxyoctadec-14-enyl)tetradecanamide?
The InChIKey is PNURQSYMZBAIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO2/c1-3-5-6-7-8-9-13-17-20-23-26-29-32(35)33-30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-31(34)4-2/h25,28,31,34H,3-24,26-27,29-30H2,1-2H3,(H,33,35).
What are the key properties of N-(16-hydroxyoctadec-14-enyl)tetradecanamide?
N-(16-hydroxyoctadec-14-enyl)tetradecanamide has a molecular weight of 493.86 g/mol, XLogP of 9.81, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-hydroxyoctadec-14-enyl)tetradecanamide is sourced from PubChem (CID 87918867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).