2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide

C38H77NO5 — CID 138234145

IUPAC2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCC
InChIInChI=1S/C38H77NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-12-10-8-6-4-2/h34-37,40-43H,3-33H2,1-2H3,(H,39,44)
InChIKeyPDTJPLVUIMGDHM-UHFFFAOYSA-N
MW628.04 g/mol
LogP9.29
Rot. Bonds35

About 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide

2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide (PubChem CID 138234145) has the molecular formula C38H77NO5 and a molecular weight of 628.04 g/mol. Its IUPAC name is 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide
PubChem CID138234145
Molecular FormulaC38H77NO5
Molecular Weight628.04 g/mol
Exact Mass627.58
IUPAC Name2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCC
InChIInChI=1S/C38H77NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-12-10-8-6-4-2/h34-37,40-43H,3-33H2,1-2H3,(H,39,44)
InChIKeyPDTJPLVUIMGDHM-UHFFFAOYSA-N
XLogP9.29
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds35
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.04
LogP ≤ 59.29
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-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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide?
The IUPAC name of 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide (CID 138234145) is 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide.
What is the SMILES notation for 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide?
The canonical SMILES for 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide is CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide?
The InChIKey is PDTJPLVUIMGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-12-10-8-6-4-2/h34-37,40-43H,3-33H2,1-2H3,(H,39,44).
What are the key properties of 2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide?
2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide has a molecular weight of 628.04 g/mol, XLogP of 9.29, 35 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-trihydroxytetradecan-2-yl)tetracosanamide is sourced from PubChem (CID 138234145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).