[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate

C22H31NO3Si — CID 140521974

IUPAC[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate
SMILESC[C@H](OC(=O)NCc1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H31NO3Si/c1-17(25-21(24)23-16-18-10-8-7-9-11-18)19-12-14-20(15-13-19)26-27(5,6)22(2,3)4/h7-15,17H,16H2,1-6H3,(H,23,24)/t17-/m0/s1
InChIKeyWEFWPOPVCPWTEF-KRWDZBQOSA-N
MW385.58 g/mol
LogP6.06
Rot. Bonds6

About [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate

[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate (PubChem CID 140521974) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate.

Molecular Properties

Compound Name[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate
PubChem CID140521974
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate
SMILESC[C@H](OC(=O)NCc1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H31NO3Si/c1-17(25-21(24)23-16-18-10-8-7-9-11-18)19-12-14-20(15-13-19)26-27(5,6)22(2,3)4/h7-15,17H,16H2,1-6H3,(H,23,24)/t17-/m0/s1
InChIKeyWEFWPOPVCPWTEF-KRWDZBQOSA-N
XLogP6.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.58
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
CID 123300594
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
but-3-en-2-yl N-benzylcarbamate
CID 130012657
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
CID 175377376
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate?
The IUPAC name of [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate (CID 140521974) is [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate.
What is the SMILES notation for [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate?
The canonical SMILES for [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate is C[C@H](OC(=O)NCc1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate?
The InChIKey is WEFWPOPVCPWTEF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-17(25-21(24)23-16-18-10-8-7-9-11-18)19-12-14-20(15-13-19)26-27(5,6)22(2,3)4/h7-15,17H,16H2,1-6H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate?
[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate has a molecular weight of 385.58 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate is sourced from PubChem (CID 140521974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).