N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide

C34H65NO2 — CID 146471280

IUPACN-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide
SMILESC#CCCCCCCCCCCCCCC(O)C(C)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H65NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h1,32-33,36H,5-31H2,2-3H3,(H,35,37)
InChIKeyWQICFAOBLMZQBK-UHFFFAOYSA-N
MW519.90 g/mol
LogP10.04
Rot. Bonds29

About N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide

N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide (PubChem CID 146471280) has the molecular formula C34H65NO2 and a molecular weight of 519.90 g/mol. Its IUPAC name is N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide.

Molecular Properties

Compound NameN-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide
PubChem CID146471280
Molecular FormulaC34H65NO2
Molecular Weight519.90 g/mol
Exact Mass519.50
IUPAC NameN-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide
SMILESC#CCCCCCCCCCCCCCC(O)C(C)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H65NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h1,32-33,36H,5-31H2,2-3H3,(H,35,37)
InChIKeyWQICFAOBLMZQBK-UHFFFAOYSA-N
XLogP10.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.90
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide
CID 73242205
N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664
(5S,6S)-hexadec-1-yne-5,6-diol
CID 11196120
N-(1,3-dihydroxyhexacosan-2-yl)pentatriacontanamide
CID 138142315
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide
CID 5283574
N-(1,3-dihydroxydotriacontan-2-yl)hexanamide
CID 164505003
N-(1,3-dihydroxyoctadecan-2-yl)octatriacontanamide
CID 138305121
N-(1,3-dihydroxytetracosan-2-yl)triacontanamide
CID 138179750
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
CID 6610274
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide?
The IUPAC name of N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide (CID 146471280) is N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide.
What is the SMILES notation for N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide?
The canonical SMILES for N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide is C#CCCCCCCCCCCCCCC(O)C(C)NC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide?
The InChIKey is WQICFAOBLMZQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h1,32-33,36H,5-31H2,2-3H3,(H,35,37).
What are the key properties of N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide?
N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide has a molecular weight of 519.90 g/mol, XLogP of 10.04, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide is sourced from PubChem (CID 146471280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).