N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide

C15H22BrNO — CID 114314563

IUPACN-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)(CC)CBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-4-13(12-9-7-6-8-10-12)14(18)17-15(3,5-2)11-16/h6-10,13H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyBGUDZSFYZVSIDF-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.86
Rot. Bonds6

About N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide

N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide (PubChem CID 114314563) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide
PubChem CID114314563
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)(CC)CBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-4-13(12-9-7-6-8-10-12)14(18)17-15(3,5-2)11-16/h6-10,13H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyBGUDZSFYZVSIDF-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.86
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-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
CID 106164437
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768
4-methoxy-3-methyl-3-(2-phenylbutanoylamino)butanoic acid
CID 120606645
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2-phenylbutanoylamino)urea
CID 63946462
benzene;ethane;3-phenylpentan-2-one;bis(1,1,1-trifluoroethane)
CID 91500791
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515
(2R)-N-methylsulfonyl-2-phenylbutanamide
CID 94188019
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 104898280

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide (CID 114314563) is N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide is CCC(C(=O)NC(C)(CC)CBr)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide?
The InChIKey is BGUDZSFYZVSIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-13(12-9-7-6-8-10-12)14(18)17-15(3,5-2)11-16/h6-10,13H,4-5,11H2,1-3H3,(H,17,18).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide?
N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide has a molecular weight of 312.25 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 114314563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).