N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine

C27H35NO2Si — CID 134925763

IUPACN-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OC[C@H](c1ccccc1)N(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35NO2Si/c1-27(2,3)31(4,5)30-21-25(22-15-9-6-10-16-22)28(29)26(23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26,29H,21H2,1-5H3/t25-/m1/s1
InChIKeyVLYPALLYQYEDQB-RUZDIDTESA-N
MW433.67 g/mol
LogP7.23
Rot. Bonds8

About N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine

N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine (PubChem CID 134925763) has the molecular formula C27H35NO2Si and a molecular weight of 433.67 g/mol. Its IUPAC name is N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine.

Molecular Properties

Compound NameN-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
PubChem CID134925763
Molecular FormulaC27H35NO2Si
Molecular Weight433.67 g/mol
Exact Mass433.24
IUPAC NameN-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OC[C@H](c1ccccc1)N(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35NO2Si/c1-27(2,3)31(4,5)30-21-25(22-15-9-6-10-16-22)28(29)26(23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26,29H,21H2,1-5H3/t25-/m1/s1
InChIKeyVLYPALLYQYEDQB-RUZDIDTESA-N
XLogP7.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.67
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772457
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772458
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
benzhydryl (2S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 153349520
tert-butyl-(2-isothiocyanato-2-phenylethoxy)-dimethylsilane
CID 85240498
[(2R,3S,4R,5S)-3,4-diacetyloxy-5-[benzhydryl(methyl)amino]-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl] acetate
CID 10371107
tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane
CID 15108856
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
CID 153432727
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine?
The IUPAC name of N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine (CID 134925763) is N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine.
What is the SMILES notation for N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine?
The canonical SMILES for N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine is CC(C)(C)[Si](C)(C)OC[C@H](c1ccccc1)N(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine?
The InChIKey is VLYPALLYQYEDQB-RUZDIDTESA-N. The full InChI is InChI=1S/C27H35NO2Si/c1-27(2,3)31(4,5)30-21-25(22-15-9-6-10-16-22)28(29)26(23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26,29H,21H2,1-5H3/t25-/m1/s1.
What are the key properties of N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine?
N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine has a molecular weight of 433.67 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine is sourced from PubChem (CID 134925763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).