N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide

C14H26BrNO — CID 114317766

IUPACN-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
SMILESCCC(CCBr)CNC(=O)CCC1CCCC1
InChIInChI=1S/C14H26BrNO/c1-2-12(9-10-15)11-16-14(17)8-7-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyQSONUJSYXJYYHN-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds8

About N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide

N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide (PubChem CID 114317766) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
PubChem CID114317766
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
SMILESCCC(CCBr)CNC(=O)CCC1CCCC1
InChIInChI=1S/C14H26BrNO/c1-2-12(9-10-15)11-16-14(17)8-7-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyQSONUJSYXJYYHN-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
CID 114168705
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide (CID 114317766) is N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide is CCC(CCBr)CNC(=O)CCC1CCCC1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide?
The InChIKey is QSONUJSYXJYYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-2-12(9-10-15)11-16-14(17)8-7-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide?
N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide has a molecular weight of 304.27 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 114317766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).