tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate

C22H29NO3Si — CID 10500198

IUPACtert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)26-21(25)23-19(16-17-12-8-6-9-13-17)20(24)27(4,5)18-14-10-7-11-15-18/h6-15,19H,16H2,1-5H3,(H,23,25)/t19-/m0/s1
InChIKeyFYSGYOUPWDMMQI-IBGZPJMESA-N
MW383.56 g/mol
LogP3.85
Rot. Bonds6

About tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 10500198) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID10500198
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Nametert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)26-21(25)23-19(16-17-12-8-6-9-13-17)20(24)27(4,5)18-14-10-7-11-15-18/h6-15,19H,16H2,1-5H3,(H,23,25)/t19-/m0/s1
InChIKeyFYSGYOUPWDMMQI-IBGZPJMESA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 10500198) is tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is FYSGYOUPWDMMQI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-22(2,3)26-21(25)23-19(16-17-12-8-6-9-13-17)20(24)27(4,5)18-14-10-7-11-15-18/h6-15,19H,16H2,1-5H3,(H,23,25)/t19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 383.56 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 10500198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).