N,N-di(nonyl)octanamide

C26H53NO — CID 533141

IUPACN,N-di(nonyl)octanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCCCCCC
InChIInChI=1S/C26H53NO/c1-4-7-10-13-15-18-21-24-27(25-22-19-16-14-11-8-5-2)26(28)23-20-17-12-9-6-3/h4-25H2,1-3H3
InChIKeyBTQILVQTQBZOGO-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.68
Rot. Bonds22

About N,N-di(nonyl)octanamide

N,N-di(nonyl)octanamide (PubChem CID 533141) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N,N-di(nonyl)octanamide.

Molecular Properties

Compound NameN,N-di(nonyl)octanamide
PubChem CID533141
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN,N-di(nonyl)octanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCCCCCC
InChIInChI=1S/C26H53NO/c1-4-7-10-13-15-18-21-24-27(25-22-19-16-14-11-8-5-2)26(28)23-20-17-12-9-6-3/h4-25H2,1-3H3
InChIKeyBTQILVQTQBZOGO-UHFFFAOYSA-N
XLogP8.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N',N'-dioctylhexanediamide
CID 53437404
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-dipropylnonadecanamide
CID 12960009
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
N,N-bis[10-[dodecyl(octanoyl)amino]decyl]carbamoyl chloride
CID 176728208
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836

Frequently Asked Questions

What is the IUPAC name of N,N-di(nonyl)octanamide?
The IUPAC name of N,N-di(nonyl)octanamide (CID 533141) is N,N-di(nonyl)octanamide.
What is the SMILES notation for N,N-di(nonyl)octanamide?
The canonical SMILES for N,N-di(nonyl)octanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)CCCCCCC.
What is the InChIKey of N,N-di(nonyl)octanamide?
The InChIKey is BTQILVQTQBZOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-4-7-10-13-15-18-21-24-27(25-22-19-16-14-11-8-5-2)26(28)23-20-17-12-9-6-3/h4-25H2,1-3H3.
What are the key properties of N,N-di(nonyl)octanamide?
N,N-di(nonyl)octanamide has a molecular weight of 395.72 g/mol, XLogP of 8.68, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(nonyl)octanamide is sourced from PubChem (CID 533141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).