N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide

C16H24BrNO — CID 106355073

IUPACN-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)C(CCBr)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-12(2)14(10-11-17)18-15(19)16(3,4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,19)
InChIKeyCCMLAABITJNLDT-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.89
Rot. Bonds6

About N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide

N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide (PubChem CID 106355073) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
PubChem CID106355073
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)C(CCBr)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-12(2)14(10-11-17)18-15(19)16(3,4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,19)
InChIKeyCCMLAABITJNLDT-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 107859920
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
CID 106156304
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 113485062
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643
N-(1-bromo-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 106355216
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 106355026
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide (CID 106355073) is N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide is CC(C)C(CCBr)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is CCMLAABITJNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(2)14(10-11-17)18-15(19)16(3,4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 326.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106355073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).