N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide

C18H30BrNO3Si — CID 12016938

IUPACN-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide
SMILESCOc1ccc(NC(=O)C(C)CCO[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C18H30BrNO3Si/c1-13(10-11-23-24(6,7)18(2,3)4)17(21)20-16-9-8-14(22-5)12-15(16)19/h8-9,12-13H,10-11H2,1-7H3,(H,20,21)
InChIKeyXDJUCXONZUCMJM-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.44
Rot. Bonds7

About N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide

N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide (PubChem CID 12016938) has the molecular formula C18H30BrNO3Si and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide
PubChem CID12016938
Molecular FormulaC18H30BrNO3Si
Molecular Weight416.43 g/mol
Exact Mass415.12
IUPAC NameN-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide
SMILESCOc1ccc(NC(=O)C(C)CCO[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C18H30BrNO3Si/c1-13(10-11-23-24(6,7)18(2,3)4)17(21)20-16-9-8-14(22-5)12-15(16)19/h8-9,12-13H,10-11H2,1-7H3,(H,20,21)
InChIKeyXDJUCXONZUCMJM-UHFFFAOYSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
CID 80545007
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
CID 22048751
N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
CID 162535644
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide
CID 141377057
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide?
The IUPAC name of N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide (CID 12016938) is N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide.
What is the SMILES notation for N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide?
The canonical SMILES for N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide is COc1ccc(NC(=O)C(C)CCO[Si](C)(C)C(C)(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide?
The InChIKey is XDJUCXONZUCMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO3Si/c1-13(10-11-23-24(6,7)18(2,3)4)17(21)20-16-9-8-14(22-5)12-15(16)19/h8-9,12-13H,10-11H2,1-7H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide?
N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide has a molecular weight of 416.43 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide is sourced from PubChem (CID 12016938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).