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

C39H51NO3Si2 — CID 102046473

IUPACN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H51NO3Si2/c1-31(2)36(30-42-44(6,7)39(3,4)5)40-38(41)37(29-28-32-20-12-8-13-21-32)43-45(33-22-14-9-15-23-33,34-24-16-10-17-25-34)35-26-18-11-19-27-35/h8-27,31,36-37H,28-30H2,1-7H3,(H,40,41)/t36-,37?/m1/s1
InChIKeyYFKLPLGKOKNUCS-RKROREJRSA-N
MW638.01 g/mol
LogP6.83
Rot. Bonds14

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

N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide (PubChem CID 102046473) has the molecular formula C39H51NO3Si2 and a molecular weight of 638.01 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
PubChem CID102046473
Molecular FormulaC39H51NO3Si2
Molecular Weight638.01 g/mol
Exact Mass637.34
IUPAC NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H51NO3Si2/c1-31(2)36(30-42-44(6,7)39(3,4)5)40-38(41)37(29-28-32-20-12-8-13-21-32)43-45(33-22-14-9-15-23-33,34-24-16-10-17-25-34)35-26-18-11-19-27-35/h8-27,31,36-37H,28-30H2,1-7H3,(H,40,41)/t36-,37?/m1/s1
InChIKeyYFKLPLGKOKNUCS-RKROREJRSA-N
XLogP6.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.01
LogP ≤ 56.83
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'}

Analyze N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2S,9S)-10-[tert-butyl(diphenyl)silyl]oxy-6-fluoro-9-(3-methylbutylamino)-3-oxo-1,1-diphenyldecan-2-yl]carbamate
CID 149337284
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)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57045421
(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,6R,9S,12R)-3-benzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxononyl]-6-(cyclohexylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 58726000

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide (CID 102046473) is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide is CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
The InChIKey is YFKLPLGKOKNUCS-RKROREJRSA-N. The full InChI is InChI=1S/C39H51NO3Si2/c1-31(2)36(30-42-44(6,7)39(3,4)5)40-38(41)37(29-28-32-20-12-8-13-21-32)43-45(33-22-14-9-15-23-33,34-24-16-10-17-25-34)35-26-18-11-19-27-35/h8-27,31,36-37H,28-30H2,1-7H3,(H,40,41)/t36-,37?/m1/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide?
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide has a molecular weight of 638.01 g/mol, XLogP of 6.83, 14 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-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 102046473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).