N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide

C28H55NO3 — CID 78399792

IUPACN-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide
SMILESCCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCC
InChIInChI=1S/C28H55NO3/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-27(31)26(25-30)29-28(32)24-22-20-17-10-8-6-4-2/h21,23,26-27,30-31H,3-20,22,24-25H2,1-2H3,(H,29,32)
InChIKeyFDWVAQFAMZLCAX-UHFFFAOYSA-N
MW453.75 g/mol
LogP7.22
Rot. Bonds24

About N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide

N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide (PubChem CID 78399792) has the molecular formula C28H55NO3 and a molecular weight of 453.75 g/mol. Its IUPAC name is N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide
PubChem CID78399792
Molecular FormulaC28H55NO3
Molecular Weight453.75 g/mol
Exact Mass453.42
IUPAC NameN-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide
SMILESCCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCC
InChIInChI=1S/C28H55NO3/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-27(31)26(25-30)29-28(32)24-22-20-17-10-8-6-4-2/h21,23,26-27,30-31H,3-20,22,24-25H2,1-2H3,(H,29,32)
InChIKeyFDWVAQFAMZLCAX-UHFFFAOYSA-N
XLogP7.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-dihydroxytricos-4-en-2-yl]hentriacontanamide
CID 138297744
N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]dotriacontanamide
CID 138274464
N-[(E)-1,3-dihydroxyicos-4-en-2-yl]docosanamide
CID 138313880
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide?
The IUPAC name of N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide (CID 78399792) is N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide.
What is the SMILES notation for N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide?
The canonical SMILES for N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide is CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide?
The InChIKey is FDWVAQFAMZLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55NO3/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-27(31)26(25-30)29-28(32)24-22-20-17-10-8-6-4-2/h21,23,26-27,30-31H,3-20,22,24-25H2,1-2H3,(H,29,32).
What are the key properties of N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide?
N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide has a molecular weight of 453.75 g/mol, XLogP of 7.22, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxyoctadec-4-en-2-yl)decanamide is sourced from PubChem (CID 78399792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).