N-(5,5-dimethyl-2-oxohexyl)octanamide

C16H31NO2 — CID 166884720

IUPACN-(5,5-dimethyl-2-oxohexyl)octanamide
SMILESCCCCCCCC(=O)NCC(=O)CCC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-8-9-10-15(19)17-13-14(18)11-12-16(2,3)4/h5-13H2,1-4H3,(H,17,19)
InChIKeyMDMWNMYKZPETPI-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.86
Rot. Bonds10

About N-(5,5-dimethyl-2-oxohexyl)octanamide

N-(5,5-dimethyl-2-oxohexyl)octanamide (PubChem CID 166884720) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(5,5-dimethyl-2-oxohexyl)octanamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-2-oxohexyl)octanamide
PubChem CID166884720
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(5,5-dimethyl-2-oxohexyl)octanamide
SMILESCCCCCCCC(=O)NCC(=O)CCC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-8-9-10-15(19)17-13-14(18)11-12-16(2,3)4/h5-13H2,1-4H3,(H,17,19)
InChIKeyMDMWNMYKZPETPI-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyltridecane-5,7-dione
CID 139254512
2,2-dimethyldodecan-5-one
CID 114970047
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-(hydroxymethyl)henicosanamide
CID 102116485
5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
CID 163453905
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide
CID 166884703
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-2-oxohexyl)octanamide?
The IUPAC name of N-(5,5-dimethyl-2-oxohexyl)octanamide (CID 166884720) is N-(5,5-dimethyl-2-oxohexyl)octanamide.
What is the SMILES notation for N-(5,5-dimethyl-2-oxohexyl)octanamide?
The canonical SMILES for N-(5,5-dimethyl-2-oxohexyl)octanamide is CCCCCCCC(=O)NCC(=O)CCC(C)(C)C.
What is the InChIKey of N-(5,5-dimethyl-2-oxohexyl)octanamide?
The InChIKey is MDMWNMYKZPETPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-6-7-8-9-10-15(19)17-13-14(18)11-12-16(2,3)4/h5-13H2,1-4H3,(H,17,19).
What are the key properties of N-(5,5-dimethyl-2-oxohexyl)octanamide?
N-(5,5-dimethyl-2-oxohexyl)octanamide has a molecular weight of 269.43 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-2-oxohexyl)octanamide is sourced from PubChem (CID 166884720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).