N-octadecyloctanamide

C26H53NO — CID 5161729

IUPACN-octadecyloctanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCCCCC
InChIInChI=1S/C26H53NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-27-26(28)24-22-20-8-6-4-2/h3-25H2,1-2H3,(H,27,28)
InChIKeyPCPVQTNQMJCULF-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.72
Rot. Bonds23

About N-octadecyloctanamide

N-octadecyloctanamide (PubChem CID 5161729) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N-octadecyloctanamide.

Molecular Properties

Compound NameN-octadecyloctanamide
PubChem CID5161729
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN-octadecyloctanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCCCCC
InChIInChI=1S/C26H53NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-27-26(28)24-22-20-8-6-4-2/h3-25H2,1-2H3,(H,27,28)
InChIKeyPCPVQTNQMJCULF-UHFFFAOYSA-N
XLogP8.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
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
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-octadecyloctanamide?
The IUPAC name of N-octadecyloctanamide (CID 5161729) is N-octadecyloctanamide.
What is the SMILES notation for N-octadecyloctanamide?
The canonical SMILES for N-octadecyloctanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCC.
What is the InChIKey of N-octadecyloctanamide?
The InChIKey is PCPVQTNQMJCULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-27-26(28)24-22-20-8-6-4-2/h3-25H2,1-2H3,(H,27,28).
What are the key properties of N-octadecyloctanamide?
N-octadecyloctanamide has a molecular weight of 395.72 g/mol, XLogP of 8.72, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyloctanamide is sourced from PubChem (CID 5161729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).