8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide

C18H34BrNO — CID 123563686

IUPAC8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide
SMILESCCC1(NC(=O)CCCCCCCBr)CC(C)CC(C)C1
InChIInChI=1S/C18H34BrNO/c1-4-18(13-15(2)12-16(3)14-18)20-17(21)10-8-6-5-7-9-11-19/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyJNZIZNUVCKLXCQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.44
Rot. Bonds9

About 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide

8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide (PubChem CID 123563686) has the molecular formula C18H34BrNO and a molecular weight of 360.38 g/mol. Its IUPAC name is 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide.

Molecular Properties

Compound Name8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide
PubChem CID123563686
Molecular FormulaC18H34BrNO
Molecular Weight360.38 g/mol
Exact Mass359.18
IUPAC Name8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide
SMILESCCC1(NC(=O)CCCCCCCBr)CC(C)CC(C)C1
InChIInChI=1S/C18H34BrNO/c1-4-18(13-15(2)12-16(3)14-18)20-17(21)10-8-6-5-7-9-11-19/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyJNZIZNUVCKLXCQ-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide?
The IUPAC name of 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide (CID 123563686) is 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide.
What is the SMILES notation for 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide?
The canonical SMILES for 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide is CCC1(NC(=O)CCCCCCCBr)CC(C)CC(C)C1.
What is the InChIKey of 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide?
The InChIKey is JNZIZNUVCKLXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34BrNO/c1-4-18(13-15(2)12-16(3)14-18)20-17(21)10-8-6-5-7-9-11-19/h15-16H,4-14H2,1-3H3,(H,20,21).
What are the key properties of 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide?
8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide has a molecular weight of 360.38 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide is sourced from PubChem (CID 123563686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).