[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

C30H39NO3Si — CID 11113721

IUPAC[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)c1ccccc1
InChIInChI=1S/C30H39NO3Si/c1-24(2)31(29(32)34-25(3)26-16-10-7-11-17-26)22-23-33-35(30(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24-25H,22-23H2,1-6H3/t25-/m1/s1
InChIKeyNELZIFPVDIOJFW-RUZDIDTESA-N
MW489.73 g/mol
LogP6.17
Rot. Bonds9

About [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (PubChem CID 11113721) has the molecular formula C30H39NO3Si and a molecular weight of 489.73 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
PubChem CID11113721
Molecular FormulaC30H39NO3Si
Molecular Weight489.73 g/mol
Exact Mass489.27
IUPAC Name[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)c1ccccc1
InChIInChI=1S/C30H39NO3Si/c1-24(2)31(29(32)34-25(3)26-16-10-7-11-17-26)22-23-33-35(30(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24-25H,22-23H2,1-6H3/t25-/m1/s1
InChIKeyNELZIFPVDIOJFW-RUZDIDTESA-N
XLogP6.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.73
LogP ≤ 56.17
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

1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate
CID 164898861
N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
CID 158723430
[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11039048
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 71489209
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexane-2-sulfonic acid
CID 150514614
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (CID 11113721) is [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is CC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The InChIKey is NELZIFPVDIOJFW-RUZDIDTESA-N. The full InChI is InChI=1S/C30H39NO3Si/c1-24(2)31(29(32)34-25(3)26-16-10-7-11-17-26)22-23-33-35(30(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24-25H,22-23H2,1-6H3/t25-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate has a molecular weight of 489.73 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 11113721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).