tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate

C27H33NO2Si — CID 154721486

IUPACtert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C27H33NO2Si/c1-27(2,3)30-26(29)28-24(21-15-9-6-10-16-21)25(22-17-11-7-12-18-22)31(4,5)23-19-13-8-14-20-23/h6-20,24-25H,1-5H3,(H,28,29)/t24-,25+/m1/s1
InChIKeyLCRAEAWPVXXRQP-RPBOFIJWSA-N
MW431.65 g/mol
LogP6.19
Rot. Bonds6

About tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate

tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate (PubChem CID 154721486) has the molecular formula C27H33NO2Si and a molecular weight of 431.65 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate
PubChem CID154721486
Molecular FormulaC27H33NO2Si
Molecular Weight431.65 g/mol
Exact Mass431.23
IUPAC Nametert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C27H33NO2Si/c1-27(2,3)30-26(29)28-24(21-15-9-6-10-16-21)25(22-17-11-7-12-18-22)31(4,5)23-19-13-8-14-20-23/h6-20,24-25H,1-5H3,(H,28,29)/t24-,25+/m1/s1
InChIKeyLCRAEAWPVXXRQP-RPBOFIJWSA-N
XLogP6.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
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tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
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tert-butyl N-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propylamino]cyclohexyl]carbamate
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CID 591298
tert-butyl N-(4-amino-4-phenylbutyl)carbamate
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tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate
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Tert-butyl N-[(1R)-3-amino-1-phenylpropyl]carbamate
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Tert-butyl (1-(4-(aminomethyl)phenyl)ethyl)carbamate
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tert-butyl N-[[4-[[(4-phenylphenyl)methylamino]methyl]phenyl]methyl]carbamate
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(S)-N-Boc-2-fluoro-1-phenylethanamine
CID 25030686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate (CID 154721486) is tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate?
The InChIKey is LCRAEAWPVXXRQP-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H33NO2Si/c1-27(2,3)30-26(29)28-24(21-15-9-6-10-16-21)25(22-17-11-7-12-18-22)31(4,5)23-19-13-8-14-20-23/h6-20,24-25H,1-5H3,(H,28,29)/t24-,25+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate?
tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate has a molecular weight of 431.65 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl]carbamate is sourced from PubChem (CID 154721486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).