N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide

C16H24BrNO — CID 106356267

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(CCBr)C(C)(C)C)cc1
InChIInChI=1S/C16H24BrNO/c1-12-5-7-13(8-6-12)11-15(19)18-14(9-10-17)16(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,19)
InChIKeyWLWKKTOALDSKJC-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.85
Rot. Bonds5

About N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 106356267) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID106356267
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(CCBr)C(C)(C)C)cc1
InChIInChI=1S/C16H24BrNO/c1-12-5-7-13(8-6-12)11-15(19)18-14(9-10-17)16(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,19)
InChIKeyWLWKKTOALDSKJC-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.85
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-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 106356146
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759
N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153294
2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106353084
N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 106355026
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037
3-hydroxy-2-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 43235600
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 106355515

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide (CID 106356267) is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC(CCBr)C(C)(C)C)cc1.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is WLWKKTOALDSKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12-5-7-13(8-6-12)11-15(19)18-14(9-10-17)16(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,19).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 326.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106356267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).