[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate

C22H41NO2Si2 — CID 91753830

IUPAC[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate
SMILESCN(C(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41NO2Si2/c1-21(2,3)26(8,9)23(7)19(17-18-15-13-12-14-16-18)20(24)25-27(10,11)22(4,5)6/h12-16,19H,17H2,1-11H3
InChIKeyLISJRGNNQLVFNX-UHFFFAOYSA-N
MW407.75 g/mol
LogP6.08
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate

[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate (PubChem CID 91753830) has the molecular formula C22H41NO2Si2 and a molecular weight of 407.75 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate
PubChem CID91753830
Molecular FormulaC22H41NO2Si2
Molecular Weight407.75 g/mol
Exact Mass407.27
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate
SMILESCN(C(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41NO2Si2/c1-21(2,3)26(8,9)23(7)19(17-18-15-13-12-14-16-18)20(24)25-27(10,11)22(4,5)6/h12-16,19H,17H2,1-11H3
InChIKeyLISJRGNNQLVFNX-UHFFFAOYSA-N
XLogP6.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.75
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
tert-butyl-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67430309
[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate
CID 155614684
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate
CID 91742096
[ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate
CID 158119415
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
CID 134877613
(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid
CID 154027617
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
tert-butyl N-[(2R)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 54358970

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate (CID 91753830) is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate is CN(C(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate?
The InChIKey is LISJRGNNQLVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2Si2/c1-21(2,3)26(8,9)23(7)19(17-18-15-13-12-14-16-18)20(24)25-27(10,11)22(4,5)6/h12-16,19H,17H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate?
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate has a molecular weight of 407.75 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate is sourced from PubChem (CID 91753830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).