N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide

C17H26BrNO — CID 82259471

IUPACN-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(CC(Br)C(C)C)cc1
InChIInChI=1S/C17H26BrNO/c1-5-14(6-2)17(20)19-15-9-7-13(8-10-15)11-16(18)12(3)4/h7-10,12,14,16H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyCPKGNGMCYYAIDQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.02
Rot. Bonds7

About N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide

N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide (PubChem CID 82259471) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
PubChem CID82259471
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(CC(Br)C(C)C)cc1
InChIInChI=1S/C17H26BrNO/c1-5-14(6-2)17(20)19-15-9-7-13(8-10-15)11-16(18)12(3)4/h7-10,12,14,16H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyCPKGNGMCYYAIDQ-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.02
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-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
CID 82259470
N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
CID 112982147
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide (CID 82259471) is N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(CC(Br)C(C)C)cc1.
What is the InChIKey of N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide?
The InChIKey is CPKGNGMCYYAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-5-14(6-2)17(20)19-15-9-7-13(8-10-15)11-16(18)12(3)4/h7-10,12,14,16H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide?
N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide has a molecular weight of 340.31 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 82259471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).