N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide

C24H49NO — CID 89171165

IUPACN-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)C(CC(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C24H49NO/c1-9-14-15-16-17-18-19-22(26)25(8)21(24(7,12-4)13-5)20-23(6,10-2)11-3/h21H,9-20H2,1-8H3
InChIKeyJOOQFIVAZJNJGN-UHFFFAOYSA-N
MW367.66 g/mol
LogP7.61
Rot. Bonds15

About N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide

N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide (PubChem CID 89171165) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide.

Molecular Properties

Compound NameN-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide
PubChem CID89171165
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC NameN-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)C(CC(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C24H49NO/c1-9-14-15-16-17-18-19-22(26)25(8)21(24(7,12-4)13-5)20-23(6,10-2)11-3/h21H,9-20H2,1-8H3
InChIKeyJOOQFIVAZJNJGN-UHFFFAOYSA-N
XLogP7.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.61
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

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N-methyl-N-(2-methylhexan-2-yl)nonanamide
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CID 91117087
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
2-[methyl(tetradecanoyl)amino]pentanoic acid
CID 175341012
N,N-dimethyloctadecanamide;hydrobromide
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CID 19818891

Frequently Asked Questions

What is the IUPAC name of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide?
The IUPAC name of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide (CID 89171165) is N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide.
What is the SMILES notation for N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide?
The canonical SMILES for N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide is CCCCCCCCC(=O)N(C)C(CC(C)(CC)CC)C(C)(CC)CC.
What is the InChIKey of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide?
The InChIKey is JOOQFIVAZJNJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-9-14-15-16-17-18-19-22(26)25(8)21(24(7,12-4)13-5)20-23(6,10-2)11-3/h21H,9-20H2,1-8H3.
What are the key properties of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide?
N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide has a molecular weight of 367.66 g/mol, XLogP of 7.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide is sourced from PubChem (CID 89171165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).