2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone

C15H25NO3Si — CID 167726239

IUPAC2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(=O)CN)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-15(2,3)20(5,6)19-13-8-7-11(12(17)10-16)9-14(13)18-4/h7-9H,10,16H2,1-6H3
InChIKeyYBTKNJJBIGMHKF-UHFFFAOYSA-N
MW295.46 g/mol
LogP3.22
Rot. Bonds5

About 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone

2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone (PubChem CID 167726239) has the molecular formula C15H25NO3Si and a molecular weight of 295.46 g/mol. Its IUPAC name is 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
PubChem CID167726239
Molecular FormulaC15H25NO3Si
Molecular Weight295.46 g/mol
Exact Mass295.16
IUPAC Name2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(=O)CN)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-15(2,3)20(5,6)19-13-8-7-11(12(17)10-16)9-14(13)18-4/h7-9H,10,16H2,1-6H3
InChIKeyYBTKNJJBIGMHKF-UHFFFAOYSA-N
XLogP3.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
CID 82048891
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-3-(4-methylsulfanylphenyl)prop-2-yn-1-one
CID 11683048
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(4-chlorophenyl)prop-2-yn-1-one
CID 169002331
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylprop-2-yn-1-one
CID 169002345
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
(E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione
CID 59028477
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone?
The IUPAC name of 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone (CID 167726239) is 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone is COc1cc(C(=O)CN)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone?
The InChIKey is YBTKNJJBIGMHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3Si/c1-15(2,3)20(5,6)19-13-8-7-11(12(17)10-16)9-14(13)18-4/h7-9H,10,16H2,1-6H3.
What are the key properties of 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone?
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone has a molecular weight of 295.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone is sourced from PubChem (CID 167726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).