2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide

C60H121NO5 — CID 138228294

IUPAC2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H121NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-58(64)60(66)61-56(55-62)59(65)57(63)53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h56-59,62-65H,3-55H2,1-2H3,(H,61,66)
InChIKeyOLJOPUPVECORJJ-UHFFFAOYSA-N
MW936.63 g/mol
LogP17.87
Rot. Bonds57

About 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide

2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide (PubChem CID 138228294) has the molecular formula C60H121NO5 and a molecular weight of 936.63 g/mol. Its IUPAC name is 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide
PubChem CID138228294
Molecular FormulaC60H121NO5
Molecular Weight936.63 g/mol
Exact Mass935.92
IUPAC Name2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H121NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-58(64)60(66)61-56(55-62)59(65)57(63)53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h56-59,62-65H,3-55H2,1-2H3,(H,61,66)
InChIKeyOLJOPUPVECORJJ-UHFFFAOYSA-N
XLogP17.87
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds57
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.63
LogP ≤ 517.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide
CID 102517280
(2S)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyheptadecan-2-yl]tetracosanamide
CID 172866804
2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide
CID 138161048
2-hydroxy-N-(1,3,4-trihydroxynonadecan-2-yl)tritriacontanamide
CID 138177247
2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)dotetracontanamide
CID 138212924
2-hydroxy-N-(1,3,4-trihydroxynonacosan-2-yl)octacosanamide
CID 138251637
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hentriacontanamide
CID 171119537
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide
CID 172866735
2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide
CID 138278438
2-hydroxy-N-(1,3,4-trihydroxynonadecan-2-yl)hentriacontanamide
CID 138120768
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]nonacosanamide
CID 102003015
2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide
CID 138234145

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide?
The IUPAC name of 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide (CID 138228294) is 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide.
What is the SMILES notation for 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide?
The canonical SMILES for 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide?
The InChIKey is OLJOPUPVECORJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H121NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-58(64)60(66)61-56(55-62)59(65)57(63)53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h56-59,62-65H,3-55H2,1-2H3,(H,61,66).
What are the key properties of 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide?
2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide has a molecular weight of 936.63 g/mol, XLogP of 17.87, 57 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide is sourced from PubChem (CID 138228294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).