14-oxo-N-pentadecyltetradecanamide

C29H57NO2 — CID 90756507

IUPAC14-oxo-N-pentadecyltetradecanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCC=O
InChIInChI=1S/C29H57NO2/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-30-29(32)26-23-20-17-14-11-10-13-16-19-22-25-28-31/h28H,2-27H2,1H3,(H,30,32)
InChIKeyZDFKPVJPFKFYLM-UHFFFAOYSA-N
MW451.78 g/mol
LogP9.07
Rot. Bonds27

About 14-oxo-N-pentadecyltetradecanamide

14-oxo-N-pentadecyltetradecanamide (PubChem CID 90756507) has the molecular formula C29H57NO2 and a molecular weight of 451.78 g/mol. Its IUPAC name is 14-oxo-N-pentadecyltetradecanamide.

Molecular Properties

Compound Name14-oxo-N-pentadecyltetradecanamide
PubChem CID90756507
Molecular FormulaC29H57NO2
Molecular Weight451.78 g/mol
Exact Mass451.44
IUPAC Name14-oxo-N-pentadecyltetradecanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCC=O
InChIInChI=1S/C29H57NO2/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-30-29(32)26-23-20-17-14-11-10-13-16-19-22-25-28-31/h28H,2-27H2,1H3,(H,30,32)
InChIKeyZDFKPVJPFKFYLM-UHFFFAOYSA-N
XLogP9.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-pentylhexanamide
CID 90124095
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
N-(3-oxopropyl)octanamide
CID 163482929
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of 14-oxo-N-pentadecyltetradecanamide?
The IUPAC name of 14-oxo-N-pentadecyltetradecanamide (CID 90756507) is 14-oxo-N-pentadecyltetradecanamide.
What is the SMILES notation for 14-oxo-N-pentadecyltetradecanamide?
The canonical SMILES for 14-oxo-N-pentadecyltetradecanamide is CCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCC=O.
What is the InChIKey of 14-oxo-N-pentadecyltetradecanamide?
The InChIKey is ZDFKPVJPFKFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NO2/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-30-29(32)26-23-20-17-14-11-10-13-16-19-22-25-28-31/h28H,2-27H2,1H3,(H,30,32).
What are the key properties of 14-oxo-N-pentadecyltetradecanamide?
14-oxo-N-pentadecyltetradecanamide has a molecular weight of 451.78 g/mol, XLogP of 9.07, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxo-N-pentadecyltetradecanamide is sourced from PubChem (CID 90756507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).