N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide

C15H22BrNO — CID 113485062

IUPACN-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
SMILESCC(CBr)C(C)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-11(10-16)12(2)17-14(18)15(3,4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyJCGWXDWLUDUHDU-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.50
Rot. Bonds5

About N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide

N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide (PubChem CID 113485062) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
PubChem CID113485062
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
SMILESCC(CBr)C(C)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-11(10-16)12(2)17-14(18)15(3,4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyJCGWXDWLUDUHDU-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.50
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-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 107859920
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
CID 106156304
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643
2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide (CID 113485062) is N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide is CC(CBr)C(C)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is JCGWXDWLUDUHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(10-16)12(2)17-14(18)15(3,4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 312.25 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 113485062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).