tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate

C23H39NO4Si — CID 139836292

IUPACtert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate
SMILESCC(=O)c1ccc(C(CCN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H39NO4Si/c1-17(25)18-11-13-19(14-12-18)20(28-29(9,10)23(5,6)7)15-16-24(8)21(26)27-22(2,3)4/h11-14,20H,15-16H2,1-10H3
InChIKeyDWUHNKBFLXWOHT-UHFFFAOYSA-N
MW421.65 g/mol
LogP6.21
Rot. Bonds7

About tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate

tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate (PubChem CID 139836292) has the molecular formula C23H39NO4Si and a molecular weight of 421.65 g/mol. Its IUPAC name is tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate
PubChem CID139836292
Molecular FormulaC23H39NO4Si
Molecular Weight421.65 g/mol
Exact Mass421.26
IUPAC Nametert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate
SMILESCC(=O)c1ccc(C(CCN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H39NO4Si/c1-17(25)18-11-13-19(14-12-18)20(28-29(9,10)23(5,6)7)15-16-24(8)21(26)27-22(2,3)4/h11-14,20H,15-16H2,1-10H3
InChIKeyDWUHNKBFLXWOHT-UHFFFAOYSA-N
XLogP6.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.65
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate (CID 139836292) is tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate is CC(=O)c1ccc(C(CCN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
The InChIKey is DWUHNKBFLXWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO4Si/c1-17(25)18-11-13-19(14-12-18)20(28-29(9,10)23(5,6)7)15-16-24(8)21(26)27-22(2,3)4/h11-14,20H,15-16H2,1-10H3.
What are the key properties of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate has a molecular weight of 421.65 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate is sourced from PubChem (CID 139836292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).