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

C23H47NO — CID 89163872

IUPACN-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCC)C(CC(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C23H47NO/c1-9-15-16-18-24(21(25)17-10-2)20(23(8,13-5)14-6)19-22(7,11-3)12-4/h20H,9-19H2,1-8H3
InChIKeyHSIDLYKFVQLBBY-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.22
Rot. Bonds14

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

N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide (PubChem CID 89163872) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide.

Molecular Properties

Compound NameN-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide
PubChem CID89163872
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC NameN-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCC)C(CC(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C23H47NO/c1-9-15-16-18-24(21(25)17-10-2)20(23(8,13-5)14-6)19-22(7,11-3)12-4/h20H,9-19H2,1-8H3
InChIKeyHSIDLYKFVQLBBY-UHFFFAOYSA-N
XLogP7.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.22
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

N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-methylnonanamide
CID 89171165
N-heptan-2-yl-N-hexylbutanamide
CID 89281566
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N-ethyl-N-octylbutanamide
CID 138793187
N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
N-(2-ethyl-2-methylbutyl)-N-methylpentanamide
CID 91117087
2-[methoxycarbonyl(pentyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 174686960
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
2-carbamothioyl-2-methyl-N-pentyl-N-propan-2-ylbutanamide
CID 114292127

Frequently Asked Questions

What is the IUPAC name of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide?
The IUPAC name of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide (CID 89163872) is N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide.
What is the SMILES notation for N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide?
The canonical SMILES for N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide is CCCCCN(C(=O)CCC)C(CC(C)(CC)CC)C(C)(CC)CC.
What is the InChIKey of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide?
The InChIKey is HSIDLYKFVQLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-9-15-16-18-24(21(25)17-10-2)20(23(8,13-5)14-6)19-22(7,11-3)12-4/h20H,9-19H2,1-8H3.
What are the key properties of N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide?
N-(3,6-diethyl-3,6-dimethyloctan-4-yl)-N-pentylbutanamide has a molecular weight of 353.64 g/mol, XLogP of 7.22, 14 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-pentylbutanamide is sourced from PubChem (CID 89163872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).