N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide

C15H22BrNO2 — CID 114149390

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(C)CCBr)cc1
InChIInChI=1S/C15H22BrNO2/c1-15(2,8-9-16)11-17-14(18)10-12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,17,18)
InChIKeyAIFFKUJABRHRLK-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.17
Rot. Bonds7

About N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide

N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 114149390) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
PubChem CID114149390
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(C)CCBr)cc1
InChIInChI=1S/C15H22BrNO2/c1-15(2,8-9-16)11-17-14(18)10-12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,17,18)
InChIKeyAIFFKUJABRHRLK-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide (CID 114149390) is N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(C)(C)CCBr)cc1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is AIFFKUJABRHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,8-9-16)11-17-14(18)10-12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide?
N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 328.25 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 114149390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).