N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide

C51H103NO3 — CID 138284441

IUPACN-(1,3-dihydroxypentacosan-2-yl)hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H103NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-47-51(55)52-49(48-53)50(54)46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h49-50,53-54H,3-48H2,1-2H3,(H,52,55)
InChIKeyVWOYVSDYNIFSFT-UHFFFAOYSA-N
MW778.39 g/mol
LogP16.42
Rot. Bonds48

About N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide

N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide (PubChem CID 138284441) has the molecular formula C51H103NO3 and a molecular weight of 778.39 g/mol. Its IUPAC name is N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypentacosan-2-yl)hexacosanamide
PubChem CID138284441
Molecular FormulaC51H103NO3
Molecular Weight778.39 g/mol
Exact Mass777.79
IUPAC NameN-(1,3-dihydroxypentacosan-2-yl)hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H103NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-47-51(55)52-49(48-53)50(54)46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h49-50,53-54H,3-48H2,1-2H3,(H,52,55)
InChIKeyVWOYVSDYNIFSFT-UHFFFAOYSA-N
XLogP16.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds48
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.39
LogP ≤ 516.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-(1,3-dihydroxytricosan-2-yl)dotetracontanamide
CID 138129007
N-(1,3-dihydroxyhexacosan-2-yl)henicosanamide
CID 138311427
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792
N-(1,3-dihydroxyheptadecan-2-yl)octacosanamide
CID 138221385
N-(1,3-dihydroxytetradecan-2-yl)hentriacontanamide
CID 138137610
N-(1,3-dihydroxyoctacosan-2-yl)hexadecanamide
CID 138148821

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide?
The IUPAC name of N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide (CID 138284441) is N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide.
What is the SMILES notation for N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide?
The canonical SMILES for N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide?
The InChIKey is VWOYVSDYNIFSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H103NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-47-51(55)52-49(48-53)50(54)46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h49-50,53-54H,3-48H2,1-2H3,(H,52,55).
What are the key properties of N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide?
N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide has a molecular weight of 778.39 g/mol, XLogP of 16.42, 48 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide is sourced from PubChem (CID 138284441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).