(2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide

C27H33NO2Si — CID 56593004

IUPAC(2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C27H33NO2Si/c1-22(26(29)28-20-23-14-8-5-9-15-23)21-30-31(27(2,3)4,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3,(H,28,29)/t22-/m0/s1
InChIKeyKZTNYZOIEZWGHL-QFIPXVFZSA-N
MW431.65 g/mol
LogP4.52
Rot. Bonds8

About (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide

(2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide (PubChem CID 56593004) has the molecular formula C27H33NO2Si and a molecular weight of 431.65 g/mol. Its IUPAC name is (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide
PubChem CID56593004
Molecular FormulaC27H33NO2Si
Molecular Weight431.65 g/mol
Exact Mass431.23
IUPAC Name(2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C27H33NO2Si/c1-22(26(29)28-20-23-14-8-5-9-15-23)21-30-31(27(2,3)4,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3,(H,28,29)/t22-/m0/s1
InChIKeyKZTNYZOIEZWGHL-QFIPXVFZSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.52
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

(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
CID 10503283
(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide
CID 15965604
N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
CID 85162813
N-benzyl-3-trimethylsilyloxybutanamide
CID 135070164
N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide
CID 141146961
1-benzyl-3-[(1R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-2,3-dimethylbutyl]urea
CID 173560740
(1R,3S)-N-benzyl-4-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-2,3-dimethylbutan-1-amine
CID 173563704
N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide
CID 10544650
N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide
CID 11037409
(E,4S,6S,8S)-9-[tert-butyl(diphenyl)silyl]oxy-4,6,8-trimethyl-N-[(1S)-1-phenylethyl]non-2-enamide
CID 16084219
(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
CID 56953832
(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide
CID 100985356

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide?
The IUPAC name of (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide (CID 56593004) is (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide?
The InChIKey is KZTNYZOIEZWGHL-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H33NO2Si/c1-22(26(29)28-20-23-14-8-5-9-15-23)21-30-31(27(2,3)4,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3,(H,28,29)/t22-/m0/s1.
What are the key properties of (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide?
(2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide has a molecular weight of 431.65 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanamide is sourced from PubChem (CID 56593004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).