N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide

C14H26BrNO2 — CID 114151280

IUPACN-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
SMILESCOCC(CCBr)NC(=O)CCC1CCCCC1
InChIInChI=1S/C14H26BrNO2/c1-18-11-13(9-10-15)16-14(17)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyVOOQFOBNBODNOA-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.26
Rot. Bonds8

About N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide

N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide (PubChem CID 114151280) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
PubChem CID114151280
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
SMILESCOCC(CCBr)NC(=O)CCC1CCCCC1
InChIInChI=1S/C14H26BrNO2/c1-18-11-13(9-10-15)16-14(17)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyVOOQFOBNBODNOA-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
2-cyclohexyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799313
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346
N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
CID 106184619
N-(1-aminopentan-2-yl)-3-cyclopentylpropanamide
CID 65190822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide (CID 114151280) is N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide is COCC(CCBr)NC(=O)CCC1CCCCC1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide?
The InChIKey is VOOQFOBNBODNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-18-11-13(9-10-15)16-14(17)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide?
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide has a molecular weight of 320.27 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 114151280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).