N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide

C13H18BrNO3 — CID 115140275

IUPACN-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)CO)cc1Br
InChIInChI=1S/C13H18BrNO3/c1-13(2,8-15-12(17)7-16)9-4-5-11(18-3)10(14)6-9/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyPXWLRUHELXFMKV-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide

N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide (PubChem CID 115140275) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
PubChem CID115140275
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)CO)cc1Br
InChIInChI=1S/C13H18BrNO3/c1-13(2,8-15-12(17)7-16)9-4-5-11(18-3)10(14)6-9/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyPXWLRUHELXFMKV-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152172
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176120
3-[[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231335
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
3-N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120194
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 82135336
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60607351

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide (CID 115140275) is N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide is COc1ccc(C(C)(C)CNC(=O)CO)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide?
The InChIKey is PXWLRUHELXFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-13(2,8-15-12(17)7-16)9-4-5-11(18-3)10(14)6-9/h4-6,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide?
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide has a molecular weight of 316.20 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide is sourced from PubChem (CID 115140275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).