N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide

C28H55NO4 — CID 11213551

IUPACN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide
SMILESCCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCC(O)CCCCCC
InChIInChI=1S/C28H55NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-27(32)26(24-30)29-28(33)23-22-25(31)20-18-8-6-4-2/h19,21,25-27,30-32H,3-18,20,22-24H2,1-2H3,(H,29,33)/b21-19+
InChIKeyOOYHMHZQIUXYNI-XUTLUUPISA-N
MW469.75 g/mol
LogP6.19
Rot. Bonds24

About N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide

N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide (PubChem CID 11213551) has the molecular formula C28H55NO4 and a molecular weight of 469.75 g/mol. Its IUPAC name is N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide.

Molecular Properties

Compound NameN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide
PubChem CID11213551
Molecular FormulaC28H55NO4
Molecular Weight469.75 g/mol
Exact Mass469.41
IUPAC NameN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide
SMILESCCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCC(O)CCCCCC
InChIInChI=1S/C28H55NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-27(32)26(24-30)29-28(33)23-22-25(31)20-18-8-6-4-2/h19,21,25-27,30-32H,3-18,20,22-24H2,1-2H3,(H,29,33)/b21-19+
InChIKeyOOYHMHZQIUXYNI-XUTLUUPISA-N
XLogP6.19
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.75
LogP ≤ 56.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(E,2S,3R)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]icosanamide
CID 70680362
N-[(E)-1,3-dihydroxyhexacos-4-en-2-yl]pentadecanamide
CID 138169267
N-[(E)-1,3-dihydroxypentacos-4-en-2-yl]tetradecanamide
CID 138281491
N-[(E,2S,3R)-1,3-dihydroxyicos-4-en-2-yl]docosanamide
CID 134784421
N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]octatriacontanamide
CID 138300915
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosanamide
CID 59982723
N-[(E,2S)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide
CID 171405887
N-[(E)-1,3-dihydroxydocos-4-en-2-yl]nonacosanamide
CID 138316257
N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tricosanamide
CID 138247219
N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]heptacosanamide
CID 138262706
N-[(E)-1,3-dihydroxypentacos-4-en-2-yl]octadecanamide
CID 138264538
N-[(E,2S,3R)-1,3-dihydroxynonadec-4-en-2-yl]nonadecanamide
CID 134719158

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide?
The IUPAC name of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide (CID 11213551) is N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide.
What is the SMILES notation for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide?
The canonical SMILES for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide is CCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCC(O)CCCCCC.
What is the InChIKey of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide?
The InChIKey is OOYHMHZQIUXYNI-XUTLUUPISA-N. The full InChI is InChI=1S/C28H55NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-27(32)26(24-30)29-28(33)23-22-25(31)20-18-8-6-4-2/h19,21,25-27,30-32H,3-18,20,22-24H2,1-2H3,(H,29,33)/b21-19+.
What are the key properties of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide?
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide has a molecular weight of 469.75 g/mol, XLogP of 6.19, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxydecanamide is sourced from PubChem (CID 11213551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).