N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide

C32H35NO3Si — CID 11341192

IUPACN-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide
SMILESCC(C)(C)[Si](OCC(O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NO3Si/c1-32(2,3)37(27-20-12-6-13-21-27,28-22-14-7-15-23-28)36-24-29(34)30(25-16-8-4-9-17-25)33-31(35)26-18-10-5-11-19-26/h4-23,29-30,34H,24H2,1-3H3,(H,33,35)/t29?,30-/m0/s1
InChIKeySOQKVMGIQDXFNI-ZSXSBBPPSA-N
MW509.72 g/mol
LogP5.10
Rot. Bonds9

About N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide

N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide (PubChem CID 11341192) has the molecular formula C32H35NO3Si and a molecular weight of 509.72 g/mol. Its IUPAC name is N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide
PubChem CID11341192
Molecular FormulaC32H35NO3Si
Molecular Weight509.72 g/mol
Exact Mass509.24
IUPAC NameN-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide
SMILESCC(C)(C)[Si](OCC(O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NO3Si/c1-32(2,3)37(27-20-12-6-13-21-27,28-22-14-7-15-23-28)36-24-29(34)30(25-16-8-4-9-17-25)33-31(35)26-18-10-5-11-19-26/h4-23,29-30,34H,24H2,1-3H3,(H,33,35)/t29?,30-/m0/s1
InChIKeySOQKVMGIQDXFNI-ZSXSBBPPSA-N
XLogP5.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.72
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-(4-methylphenyl)propyl]carbamate
CID 159958127
benzyl N-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-(4-methylphenyl)propyl]carbamate
CID 159958128
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide
CID 11134602
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide (CID 11341192) is N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide is CC(C)(C)[Si](OCC(O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide?
The InChIKey is SOQKVMGIQDXFNI-ZSXSBBPPSA-N. The full InChI is InChI=1S/C32H35NO3Si/c1-32(2,3)37(27-20-12-6-13-21-27,28-22-14-7-15-23-28)36-24-29(34)30(25-16-8-4-9-17-25)33-31(35)26-18-10-5-11-19-26/h4-23,29-30,34H,24H2,1-3H3,(H,33,35)/t29?,30-/m0/s1.
What are the key properties of N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide?
N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide has a molecular weight of 509.72 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide is sourced from PubChem (CID 11341192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).