N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide

C30H61NO4 — CID 138167755

IUPACN-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
SMILESCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C30H61NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h27-29,32-34H,3-26H2,1-2H3,(H,31,35)
InChIKeyHFFDVXLNXXISAD-UHFFFAOYSA-N
MW499.82 g/mol
LogP7.20
Rot. Bonds27

About N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide

N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide (PubChem CID 138167755) has the molecular formula C30H61NO4 and a molecular weight of 499.82 g/mol. Its IUPAC name is N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
PubChem CID138167755
Molecular FormulaC30H61NO4
Molecular Weight499.82 g/mol
Exact Mass499.46
IUPAC NameN-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
SMILESCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C30H61NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h27-29,32-34H,3-26H2,1-2H3,(H,31,35)
InChIKeyHFFDVXLNXXISAD-UHFFFAOYSA-N
XLogP7.20
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.82
LogP ≤ 57.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
CID 138124268
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxyoctatriacontanamide
CID 138236672
N-(1,3-dihydroxypentacosan-2-yl)-2-hydroxynonadecanamide
CID 138295234
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyheptacosanamide
CID 138189483
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxydotetracontanamide
CID 138251603
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxynonacosanamide
CID 138191913
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyhexadecanamide
CID 138238433
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
CID 138312003
N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxyicosanamide
CID 138147990

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide?
The IUPAC name of N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide (CID 138167755) is N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide.
What is the SMILES notation for N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide?
The canonical SMILES for N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide is CCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide?
The InChIKey is HFFDVXLNXXISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h27-29,32-34H,3-26H2,1-2H3,(H,31,35).
What are the key properties of N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide?
N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide has a molecular weight of 499.82 g/mol, XLogP of 7.20, 27 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide is sourced from PubChem (CID 138167755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).