benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate

C24H33NO4Si — CID 11796759

IUPACbenzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]1Cc1ccccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-24(2,3)30(4,5)28-17-22-21(29-22)15-19-13-9-10-14-20(19)25-23(26)27-16-18-11-7-6-8-12-18/h6-14,21-22H,15-17H2,1-5H3,(H,25,26)/t21-,22+/m0/s1
InChIKeyPBCLQIPXOAQUGC-FCHUYYIVSA-N
MW427.62 g/mol
LogP5.77
Rot. Bonds8

About benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate

benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate (PubChem CID 11796759) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate
PubChem CID11796759
Molecular FormulaC24H33NO4Si
Molecular Weight427.62 g/mol
Exact Mass427.22
IUPAC Namebenzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]1Cc1ccccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-24(2,3)30(4,5)28-17-22-21(29-22)15-19-13-9-10-14-20(19)25-23(26)27-16-18-11-7-6-8-12-18/h6-14,21-22H,15-17H2,1-5H3,(H,25,26)/t21-,22+/m0/s1
InChIKeyPBCLQIPXOAQUGC-FCHUYYIVSA-N
XLogP5.77
TPSA60.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.62
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate with MolForge

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Related Compounds

benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
benzyl N-[(1S,4R,5S,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl]carbamate
CID 101133628
benzyl N-[(1S,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentyl]carbamate
CID 10918212
benzyl N-[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]carbamate
CID 148595263
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-2-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59684355
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-[(2S)-oxiran-2-yl]butan-2-yl]carbamate
CID 11338426
[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylmethoxyaziridin-2-yl]methyl acetate
CID 101002260
benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate
CID 169299290
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate?
The IUPAC name of benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate (CID 11796759) is benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]1Cc1ccccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate?
The InChIKey is PBCLQIPXOAQUGC-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-24(2,3)30(4,5)28-17-22-21(29-22)15-19-13-9-10-14-20(19)25-23(26)27-16-18-11-7-6-8-12-18/h6-14,21-22H,15-17H2,1-5H3,(H,25,26)/t21-,22+/m0/s1.
What are the key properties of benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate?
benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate has a molecular weight of 427.62 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 11796759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).