N-(4-bromo-2-ethylbutyl)butanamide

C10H20BrNO — CID 114317545

IUPACN-(4-bromo-2-ethylbutyl)butanamide
SMILESCCCC(=O)NCC(CC)CCBr
InChIInChI=1S/C10H20BrNO/c1-3-5-10(13)12-8-9(4-2)6-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyAUVORVZFYCRBKJ-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.71
Rot. Bonds7

About N-(4-bromo-2-ethylbutyl)butanamide

N-(4-bromo-2-ethylbutyl)butanamide (PubChem CID 114317545) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)butanamide
PubChem CID114317545
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(4-bromo-2-ethylbutyl)butanamide
SMILESCCCC(=O)NCC(CC)CCBr
InChIInChI=1S/C10H20BrNO/c1-3-5-10(13)12-8-9(4-2)6-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyAUVORVZFYCRBKJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.71
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-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996
N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
CID 114317766
N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
CID 106117955
N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618
N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
CID 113276407
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
N-(2-chloropropyl)butanamide
CID 57294659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)butanamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)butanamide (CID 114317545) is N-(4-bromo-2-ethylbutyl)butanamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)butanamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)butanamide is CCCC(=O)NCC(CC)CCBr.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)butanamide?
The InChIKey is AUVORVZFYCRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-3-5-10(13)12-8-9(4-2)6-7-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(4-bromo-2-ethylbutyl)butanamide?
N-(4-bromo-2-ethylbutyl)butanamide has a molecular weight of 250.18 g/mol, XLogP of 2.71, 7 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)butanamide is sourced from PubChem (CID 114317545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).