N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide

C13H24BrNO — CID 114317113

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCC1CBr
InChIInChI=1S/C13H24BrNO/c1-3-10(4-2)13(16)15-9-12-7-5-6-11(12)8-14/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLOMWWDWTKFEEFO-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds6

About N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide (PubChem CID 114317113) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
PubChem CID114317113
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCC1CBr
InChIInChI=1S/C13H24BrNO/c1-3-10(4-2)13(16)15-9-12-7-5-6-11(12)8-14/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLOMWWDWTKFEEFO-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.35
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-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
CID 114307011
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 104522440
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
CID 114317161
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
CID 114317234
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide (CID 114317113) is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide?
The InChIKey is LOMWWDWTKFEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-3-10(4-2)13(16)15-9-12-7-5-6-11(12)8-14/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide has a molecular weight of 290.25 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 114317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).