N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide

C12H24BrNO — CID 114315218

IUPACN-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(CC)(CC)CBr
InChIInChI=1S/C12H24BrNO/c1-5-10(6-2)11(15)14-12(7-3,8-4)9-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyFRYQMJUNOJOCFG-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.49
Rot. Bonds7

About N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide

N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide (PubChem CID 114315218) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
PubChem CID114315218
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(CC)(CC)CBr
InChIInChI=1S/C12H24BrNO/c1-5-10(6-2)11(15)14-12(7-3,8-4)9-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyFRYQMJUNOJOCFG-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.49
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

2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
CID 120607591
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
CID 107867920
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604183
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
CID 107031126
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbenzamide
CID 113275780
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3,3,3-trifluoropropanamide
CID 107868085

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide (CID 114315218) is N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC(CC)(CC)CBr.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide?
The InChIKey is FRYQMJUNOJOCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-5-10(6-2)11(15)14-12(7-3,8-4)9-13/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide?
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide has a molecular weight of 278.23 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 114315218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).