N-butyl-N-octyldecanamide

C22H45NO — CID 18913402

IUPACN-butyl-N-octyldecanamide
SMILESCCCCCCCCCC(=O)N(CCCC)CCCCCCCC
InChIInChI=1S/C22H45NO/c1-4-7-10-12-14-15-17-19-22(24)23(20-9-6-3)21-18-16-13-11-8-5-2/h4-21H2,1-3H3
InChIKeyTVUMVZHCWVWYPR-UHFFFAOYSA-N
MW339.61 g/mol
LogP7.12
Rot. Bonds18

About N-butyl-N-octyldecanamide

N-butyl-N-octyldecanamide (PubChem CID 18913402) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is N-butyl-N-octyldecanamide.

Molecular Properties

Compound NameN-butyl-N-octyldecanamide
PubChem CID18913402
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC NameN-butyl-N-octyldecanamide
SMILESCCCCCCCCCC(=O)N(CCCC)CCCCCCCC
InChIInChI=1S/C22H45NO/c1-4-7-10-12-14-15-17-19-22(24)23(20-9-6-3)21-18-16-13-11-8-5-2/h4-21H2,1-3H3
InChIKeyTVUMVZHCWVWYPR-UHFFFAOYSA-N
XLogP7.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 57.12
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-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
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-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-octyldecanamide?
The IUPAC name of N-butyl-N-octyldecanamide (CID 18913402) is N-butyl-N-octyldecanamide.
What is the SMILES notation for N-butyl-N-octyldecanamide?
The canonical SMILES for N-butyl-N-octyldecanamide is CCCCCCCCCC(=O)N(CCCC)CCCCCCCC.
What is the InChIKey of N-butyl-N-octyldecanamide?
The InChIKey is TVUMVZHCWVWYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-4-7-10-12-14-15-17-19-22(24)23(20-9-6-3)21-18-16-13-11-8-5-2/h4-21H2,1-3H3.
What are the key properties of N-butyl-N-octyldecanamide?
N-butyl-N-octyldecanamide has a molecular weight of 339.61 g/mol, XLogP of 7.12, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-octyldecanamide is sourced from PubChem (CID 18913402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).