2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide

C58H117NO5 — CID 138278438

IUPAC2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C58H117NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-56(62)58(64)59-54(53-60)57(63)55(61)51-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2/h54-57,60-63H,3-53H2,1-2H3,(H,59,64)
InChIKeyVEDUWVUITCWGEX-UHFFFAOYSA-N
MW908.58 g/mol
LogP17.09
Rot. Bonds55

About 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide

2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide (PubChem CID 138278438) has the molecular formula C58H117NO5 and a molecular weight of 908.58 g/mol. Its IUPAC name is 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide
PubChem CID138278438
Molecular FormulaC58H117NO5
Molecular Weight908.58 g/mol
Exact Mass907.89
IUPAC Name2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C58H117NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-56(62)58(64)59-54(53-60)57(63)55(61)51-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2/h54-57,60-63H,3-53H2,1-2H3,(H,59,64)
InChIKeyVEDUWVUITCWGEX-UHFFFAOYSA-N
XLogP17.09
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds55
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.58
LogP ≤ 517.09
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
2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide
CID 138228294
(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-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-trihydroxytricosan-2-yl)pentatriacontanamide?
The IUPAC name of 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide (CID 138278438) is 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide.
What is the SMILES notation for 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide?
The canonical SMILES for 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide?
The InChIKey is VEDUWVUITCWGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H117NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-56(62)58(64)59-54(53-60)57(63)55(61)51-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2/h54-57,60-63H,3-53H2,1-2H3,(H,59,64).
What are the key properties of 2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide?
2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide has a molecular weight of 908.58 g/mol, XLogP of 17.09, 55 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-trihydroxytricosan-2-yl)pentatriacontanamide is sourced from PubChem (CID 138278438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).