N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide

C43H51NO3Si2 — CID 102046472

IUPACN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
SMILESCC(C)(C)[Si](C)(C)OC[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H51NO3Si2/c1-43(2,3)48(4,5)46-34-37(33-36-23-13-7-14-24-36)44-42(45)41(32-31-35-21-11-6-12-22-35)47-49(38-25-15-8-16-26-38,39-27-17-9-18-28-39)40-29-19-10-20-30-40/h6-30,37,41H,31-34H2,1-5H3,(H,44,45)/t37-,41?/m0/s1
InChIKeyVLBVJXYOHSJJMA-ZGLUAFTOSA-N
MW686.06 g/mol
LogP7.42
Rot. Bonds15

About N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide

N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide (PubChem CID 102046472) has the molecular formula C43H51NO3Si2 and a molecular weight of 686.06 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
PubChem CID102046472
Molecular FormulaC43H51NO3Si2
Molecular Weight686.06 g/mol
Exact Mass685.34
IUPAC NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
SMILESCC(C)(C)[Si](C)(C)OC[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H51NO3Si2/c1-43(2,3)48(4,5)46-34-37(33-36-23-13-7-14-24-36)44-42(45)41(32-31-35-21-11-6-12-22-35)47-49(38-25-15-8-16-26-38,39-27-17-9-18-28-39)40-29-19-10-20-30-40/h6-30,37,41H,31-34H2,1-5H3,(H,44,45)/t37-,41?/m0/s1
InChIKeyVLBVJXYOHSJJMA-ZGLUAFTOSA-N
XLogP7.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.06
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046470
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide
CID 102046475
(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
N-cyclohexyl-2-phenyl-2-triphenylsilyloxyacetamide
CID 102046478
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
CID 135004659
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
CID 12968559
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
CID 12968561
(3S,6S,9S,12R)-3,6-dibenzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 58725978
(3S,6S,9S,12R)-3,6-dibenzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 58726062
(3S,6S,9S,12R)-3-benzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-6-ethyl-6-methyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 58726078
(3S,6R,9S,12R)-3,6-dibenzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 58726424

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide (CID 102046472) is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide is CC(C)(C)[Si](C)(C)OC[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
The InChIKey is VLBVJXYOHSJJMA-ZGLUAFTOSA-N. The full InChI is InChI=1S/C43H51NO3Si2/c1-43(2,3)48(4,5)46-34-37(33-36-23-13-7-14-24-36)44-42(45)41(32-31-35-21-11-6-12-22-35)47-49(38-25-15-8-16-26-38,39-27-17-9-18-28-39)40-29-19-10-20-30-40/h6-30,37,41H,31-34H2,1-5H3,(H,44,45)/t37-,41?/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide has a molecular weight of 686.06 g/mol, XLogP of 7.42, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 102046472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).