N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide

C44H89NO2 — CID 73242205

IUPACN-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C44H89NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h42-43,46H,4-41H2,1-3H3,(H,45,47)/t42-,43+/m0/s1
InChIKeySMVNPQJTRBENCZ-WZYYJWNZSA-N
MW664.20 g/mol
LogP14.72
Rot. Bonds40

About N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide

N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide (PubChem CID 73242205) has the molecular formula C44H89NO2 and a molecular weight of 664.20 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide
PubChem CID73242205
Molecular FormulaC44H89NO2
Molecular Weight664.20 g/mol
Exact Mass663.69
IUPAC NameN-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C44H89NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h42-43,46H,4-41H2,1-3H3,(H,45,47)/t42-,43+/m0/s1
InChIKeySMVNPQJTRBENCZ-WZYYJWNZSA-N
XLogP14.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds40
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.20
LogP ≤ 514.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide 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-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide
CID 146471280
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(1,3-dihydroxyicosan-2-yl)heptadecanamide
CID 21259878
N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide
CID 138284441
N-(1,3-dihydroxypentacosan-2-yl)tetracontanamide
CID 138123678
N-(1,3-dihydroxynonadecan-2-yl)triacontanamide
CID 138226713
N-[(2S,3R)-1,3-dihydroxyhenicosan-2-yl]octadecanamide
CID 134766399
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093
N-(1,3-dihydroxyhexadecan-2-yl)hexadecanamide
CID 18006680
N-(1,3-dihydroxynonacosan-2-yl)heptadecanamide
CID 138282108
N-(1,3-dihydroxyicosan-2-yl)octatriacontanamide
CID 138249759

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide?
The IUPAC name of N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide (CID 73242205) is N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide?
The InChIKey is SMVNPQJTRBENCZ-WZYYJWNZSA-N. The full InChI is InChI=1S/C44H89NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h42-43,46H,4-41H2,1-3H3,(H,45,47)/t42-,43+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide?
N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide has a molecular weight of 664.20 g/mol, XLogP of 14.72, 40 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide is sourced from PubChem (CID 73242205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).