8-[methyl(5-oxooctyl)amino]octan-4-one

C17H33NO2 — CID 159906719

IUPAC8-[methyl(5-oxooctyl)amino]octan-4-one
SMILESCCCC(=O)CCCCN(C)CCCCC(=O)CCC
InChIInChI=1S/C17H33NO2/c1-4-10-16(19)12-6-8-14-18(3)15-9-7-13-17(20)11-5-2/h4-15H2,1-3H3
InChIKeyZLSHQDWOQGDUDT-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.00
Rot. Bonds14

About 8-[methyl(5-oxooctyl)amino]octan-4-one

8-[methyl(5-oxooctyl)amino]octan-4-one (PubChem CID 159906719) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 8-[methyl(5-oxooctyl)amino]octan-4-one.

Molecular Properties

Compound Name8-[methyl(5-oxooctyl)amino]octan-4-one
PubChem CID159906719
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name8-[methyl(5-oxooctyl)amino]octan-4-one
SMILESCCCC(=O)CCCCN(C)CCCCC(=O)CCC
InChIInChI=1S/C17H33NO2/c1-4-10-16(19)12-6-8-14-18(3)15-9-7-13-17(20)11-5-2/h4-15H2,1-3H3
InChIKeyZLSHQDWOQGDUDT-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
tridecane-4,10-dione
CID 158766358
tridecane-4,9-dione
CID 166698782
icosane-4,15-dione
CID 123287171
octadecan-4-one
CID 551672
1-hydroxyundecane-3,8-dione
CID 134266398
6-oxononanoic acid
CID 5282981
methanamine;nonan-4-one
CID 174439685
8-bromooctan-4-one
CID 15442624
N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide
CID 170225403
4-[methyl(pentyl)amino]butan-2-one
CID 23332894
methanol;octan-4-one
CID 174820687

Frequently Asked Questions

What is the IUPAC name of 8-[methyl(5-oxooctyl)amino]octan-4-one?
The IUPAC name of 8-[methyl(5-oxooctyl)amino]octan-4-one (CID 159906719) is 8-[methyl(5-oxooctyl)amino]octan-4-one.
What is the SMILES notation for 8-[methyl(5-oxooctyl)amino]octan-4-one?
The canonical SMILES for 8-[methyl(5-oxooctyl)amino]octan-4-one is CCCC(=O)CCCCN(C)CCCCC(=O)CCC.
What is the InChIKey of 8-[methyl(5-oxooctyl)amino]octan-4-one?
The InChIKey is ZLSHQDWOQGDUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-10-16(19)12-6-8-14-18(3)15-9-7-13-17(20)11-5-2/h4-15H2,1-3H3.
What are the key properties of 8-[methyl(5-oxooctyl)amino]octan-4-one?
8-[methyl(5-oxooctyl)amino]octan-4-one has a molecular weight of 283.46 g/mol, XLogP of 4.00, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(5-oxooctyl)amino]octan-4-one is sourced from PubChem (CID 159906719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).