2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide

C35H71NO5 — CID 138161048

IUPAC2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide
SMILESCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C35H71NO5/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-32(38)34(40)31(30-37)36-35(41)33(39)29-27-25-23-20-14-12-10-8-6-4-2/h31-34,37-40H,3-30H2,1-2H3,(H,36,41)
InChIKeyGKKRCIWYBUPVSS-UHFFFAOYSA-N
MW585.96 g/mol
LogP8.12
Rot. Bonds32

About 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide

2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide (PubChem CID 138161048) has the molecular formula C35H71NO5 and a molecular weight of 585.96 g/mol. Its IUPAC name is 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide
PubChem CID138161048
Molecular FormulaC35H71NO5
Molecular Weight585.96 g/mol
Exact Mass585.53
IUPAC Name2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide
SMILESCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C35H71NO5/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-32(38)34(40)31(30-37)36-35(41)33(39)29-27-25-23-20-14-12-10-8-6-4-2/h31-34,37-40H,3-30H2,1-2H3,(H,36,41)
InChIKeyGKKRCIWYBUPVSS-UHFFFAOYSA-N
XLogP8.12
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.96
LogP ≤ 58.12
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-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-trihydroxyhenicosan-2-yl)tetradecanamide?
The IUPAC name of 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide (CID 138161048) is 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide.
What is the SMILES notation for 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide?
The canonical SMILES for 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide is CCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide?
The InChIKey is GKKRCIWYBUPVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO5/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-32(38)34(40)31(30-37)36-35(41)33(39)29-27-25-23-20-14-12-10-8-6-4-2/h31-34,37-40H,3-30H2,1-2H3,(H,36,41).
What are the key properties of 2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide?
2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide has a molecular weight of 585.96 g/mol, XLogP of 8.12, 32 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-trihydroxyhenicosan-2-yl)tetradecanamide is sourced from PubChem (CID 138161048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).