N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide

C26H37NO — CID 155692236

IUPACN-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide
SMILESCCC(CC)(CCCCc1ccccc1)CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C26H37NO/c1-5-26(6-2,19-11-10-17-23-15-8-7-9-16-23)20-18-24(28)27-25-21(3)13-12-14-22(25)4/h7-9,12-16H,5-6,10-11,17-20H2,1-4H3,(H,27,28)
InChIKeyQEFLRKVILOGFII-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.24
Rot. Bonds11

About N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide

N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide (PubChem CID 155692236) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide
PubChem CID155692236
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC NameN-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide
SMILESCCC(CC)(CCCCc1ccccc1)CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C26H37NO/c1-5-26(6-2,19-11-10-17-23-15-8-7-9-16-23)20-18-24(28)27-25-21(3)13-12-14-22(25)4/h7-9,12-16H,5-6,10-11,17-20H2,1-4H3,(H,27,28)
InChIKeyQEFLRKVILOGFII-UHFFFAOYSA-N
XLogP7.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide
CID 142161748
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201
N,2,2-triethyl-5-phenylpentan-1-amine
CID 63508622
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;18-phenyloctadecanoic acid
CID 68846605

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide (CID 155692236) is N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide is CCC(CC)(CCCCc1ccccc1)CCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide?
The InChIKey is QEFLRKVILOGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-5-26(6-2,19-11-10-17-23-15-8-7-9-16-23)20-18-24(28)27-25-21(3)13-12-14-22(25)4/h7-9,12-16H,5-6,10-11,17-20H2,1-4H3,(H,27,28).
What are the key properties of N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide?
N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide has a molecular weight of 379.59 g/mol, XLogP of 7.24, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide is sourced from PubChem (CID 155692236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).