N-(2-bromoethyl)-N-cyclohexyloctanamide

C16H30BrNO — CID 80658420

IUPACN-(2-bromoethyl)-N-cyclohexyloctanamide
SMILESCCCCCCCC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H30BrNO/c1-2-3-4-5-9-12-16(19)18(14-13-17)15-10-7-6-8-11-15/h15H,2-14H2,1H3
InChIKeyXMRIIJHXUCFDQI-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.90
Rot. Bonds9

About N-(2-bromoethyl)-N-cyclohexyloctanamide

N-(2-bromoethyl)-N-cyclohexyloctanamide (PubChem CID 80658420) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyloctanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyloctanamide
PubChem CID80658420
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(2-bromoethyl)-N-cyclohexyloctanamide
SMILESCCCCCCCC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H30BrNO/c1-2-3-4-5-9-12-16(19)18(14-13-17)15-10-7-6-8-11-15/h15H,2-14H2,1H3
InChIKeyXMRIIJHXUCFDQI-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
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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Related Compounds

N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyloctanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyloctanamide (CID 80658420) is N-(2-bromoethyl)-N-cyclohexyloctanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyloctanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyloctanamide is CCCCCCCC(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyloctanamide?
The InChIKey is XMRIIJHXUCFDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-2-3-4-5-9-12-16(19)18(14-13-17)15-10-7-6-8-11-15/h15H,2-14H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyloctanamide?
N-(2-bromoethyl)-N-cyclohexyloctanamide has a molecular weight of 332.33 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyloctanamide is sourced from PubChem (CID 80658420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).