N-(3-hydroxypropyl)hexacosa-10,12-diynamide

C29H51NO2 — CID 71323360

IUPACN-(3-hydroxypropyl)hexacosa-10,12-diynamide
SMILESCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCO
InChIInChI=1S/C29H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31/h31H,2-13,18-28H2,1H3,(H,30,32)
InChIKeyYTTONXMRSAOFME-UHFFFAOYSA-N
MW445.73 g/mol
LogP7.31
Rot. Bonds22

About N-(3-hydroxypropyl)hexacosa-10,12-diynamide

N-(3-hydroxypropyl)hexacosa-10,12-diynamide (PubChem CID 71323360) has the molecular formula C29H51NO2 and a molecular weight of 445.73 g/mol. Its IUPAC name is N-(3-hydroxypropyl)hexacosa-10,12-diynamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)hexacosa-10,12-diynamide
PubChem CID71323360
Molecular FormulaC29H51NO2
Molecular Weight445.73 g/mol
Exact Mass445.39
IUPAC NameN-(3-hydroxypropyl)hexacosa-10,12-diynamide
SMILESCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCO
InChIInChI=1S/C29H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31/h31H,2-13,18-28H2,1H3,(H,30,32)
InChIKeyYTTONXMRSAOFME-UHFFFAOYSA-N
XLogP7.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.73
LogP ≤ 57.31
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,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
N,N'-didecyldodeca-5,7-diynediamide
CID 88921625
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
CID 59079215
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
N-(2-hydroxyethyl)pentacosanamide
CID 14455162

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)hexacosa-10,12-diynamide?
The IUPAC name of N-(3-hydroxypropyl)hexacosa-10,12-diynamide (CID 71323360) is N-(3-hydroxypropyl)hexacosa-10,12-diynamide.
What is the SMILES notation for N-(3-hydroxypropyl)hexacosa-10,12-diynamide?
The canonical SMILES for N-(3-hydroxypropyl)hexacosa-10,12-diynamide is CCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)hexacosa-10,12-diynamide?
The InChIKey is YTTONXMRSAOFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31/h31H,2-13,18-28H2,1H3,(H,30,32).
What are the key properties of N-(3-hydroxypropyl)hexacosa-10,12-diynamide?
N-(3-hydroxypropyl)hexacosa-10,12-diynamide has a molecular weight of 445.73 g/mol, XLogP of 7.31, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)hexacosa-10,12-diynamide is sourced from PubChem (CID 71323360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).