N-butyl-N-hexyl-11-oxoundecanamide

C21H41NO2 — CID 172894369

IUPACN-butyl-N-hexyl-11-oxoundecanamide
SMILESCCCCCCN(CCCC)C(=O)CCCCCCCCCC=O
InChIInChI=1S/C21H41NO2/c1-3-5-7-15-19-22(18-6-4-2)21(24)17-14-12-10-8-9-11-13-16-20-23/h20H,3-19H2,1-2H3
InChIKeyWJPZYCGYMHXCBP-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.91
Rot. Bonds18

About N-butyl-N-hexyl-11-oxoundecanamide

N-butyl-N-hexyl-11-oxoundecanamide (PubChem CID 172894369) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-butyl-N-hexyl-11-oxoundecanamide.

Molecular Properties

Compound NameN-butyl-N-hexyl-11-oxoundecanamide
PubChem CID172894369
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-butyl-N-hexyl-11-oxoundecanamide
SMILESCCCCCCN(CCCC)C(=O)CCCCCCCCCC=O
InChIInChI=1S/C21H41NO2/c1-3-5-7-15-19-22(18-6-4-2)21(24)17-14-12-10-8-9-11-13-16-20-23/h20H,3-19H2,1-2H3
InChIKeyWJPZYCGYMHXCBP-UHFFFAOYSA-N
XLogP5.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
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

N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
N,N-dioctadecyl-4-oxobutanamide
CID 56607761
N-butyl-N-octyldecanamide
CID 18913402
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N,N-diethyl-10-oxodecanamide
CID 130369072
N,N-di(undecyl)pentanamide
CID 532896
N,N-didecyl-8-(octylamino)octanamide
CID 172581253
N',N'-dioctylhexanediamide
CID 53437404
N,N-di(undecyl)butanamide
CID 533369

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-hexyl-11-oxoundecanamide?
The IUPAC name of N-butyl-N-hexyl-11-oxoundecanamide (CID 172894369) is N-butyl-N-hexyl-11-oxoundecanamide.
What is the SMILES notation for N-butyl-N-hexyl-11-oxoundecanamide?
The canonical SMILES for N-butyl-N-hexyl-11-oxoundecanamide is CCCCCCN(CCCC)C(=O)CCCCCCCCCC=O.
What is the InChIKey of N-butyl-N-hexyl-11-oxoundecanamide?
The InChIKey is WJPZYCGYMHXCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-5-7-15-19-22(18-6-4-2)21(24)17-14-12-10-8-9-11-13-16-20-23/h20H,3-19H2,1-2H3.
What are the key properties of N-butyl-N-hexyl-11-oxoundecanamide?
N-butyl-N-hexyl-11-oxoundecanamide has a molecular weight of 339.56 g/mol, XLogP of 5.91, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-hexyl-11-oxoundecanamide is sourced from PubChem (CID 172894369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).