[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate

C20H33NO5Si — CID 171419580

IUPAC[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
SMILESCOc1cc(CC(=O)NOC(=O)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO5Si/c1-19(2,3)18(23)25-21-17(22)13-14-10-11-15(16(12-14)24-7)26-27(8,9)20(4,5)6/h10-12H,13H2,1-9H3,(H,21,22)
InChIKeyWLMRUZCAXGHZRO-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.24
Rot. Bonds5

About [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate

[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate (PubChem CID 171419580) has the molecular formula C20H33NO5Si and a molecular weight of 395.57 g/mol. Its IUPAC name is [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
PubChem CID171419580
Molecular FormulaC20H33NO5Si
Molecular Weight395.57 g/mol
Exact Mass395.21
IUPAC Name[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
SMILESCOc1cc(CC(=O)NOC(=O)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO5Si/c1-19(2,3)18(23)25-21-17(22)13-14-10-11-15(16(12-14)24-7)26-27(8,9)20(4,5)6/h10-12H,13H2,1-9H3,(H,21,22)
InChIKeyWLMRUZCAXGHZRO-UHFFFAOYSA-N
XLogP4.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
CID 167731618
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
[4-(bromomethyl)-2-methoxyphenyl] 2,2-dimethylpropanoate
CID 142704760
2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
CID 167715814
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
methyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]acetate
CID 139995151
tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane
CID 160502554
[(3S,6S)-3-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2-oxo-6-bicyclo[3.1.0]hexanyl]methyl 2,2-dimethylpropanoate
CID 134940239
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
CID 91749297
[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
CID 91737540

Frequently Asked Questions

What is the IUPAC name of [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate?
The IUPAC name of [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate (CID 171419580) is [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate?
The canonical SMILES for [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate is COc1cc(CC(=O)NOC(=O)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate?
The InChIKey is WLMRUZCAXGHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5Si/c1-19(2,3)18(23)25-21-17(22)13-14-10-11-15(16(12-14)24-7)26-27(8,9)20(4,5)6/h10-12H,13H2,1-9H3,(H,21,22).
What are the key properties of [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate?
[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate has a molecular weight of 395.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 171419580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).