N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine

C32H43NO4Si — CID 102350254

IUPACN-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine
SMILESCC[C@@](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)([C@@H]1COC(C)(C)O1)N(O)Cc1ccccc1
InChIInChI=1S/C32H43NO4Si/c1-7-32(29-24-35-31(5,6)37-29,33(34)23-26-17-11-8-12-18-26)25-36-38(30(2,3)4,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,29,34H,7,23-25H2,1-6H3/t29-,32+/m0/s1
InChIKeyBHGYVBIFKRYYLE-BHDXBOSCSA-N
MW533.79 g/mol
LogP5.75
Rot. Bonds10

About N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine

N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine (PubChem CID 102350254) has the molecular formula C32H43NO4Si and a molecular weight of 533.79 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine
PubChem CID102350254
Molecular FormulaC32H43NO4Si
Molecular Weight533.79 g/mol
Exact Mass533.30
IUPAC NameN-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine
SMILESCC[C@@](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)([C@@H]1COC(C)(C)O1)N(O)Cc1ccccc1
InChIInChI=1S/C32H43NO4Si/c1-7-32(29-24-35-31(5,6)37-29,33(34)23-26-17-11-8-12-18-26)25-36-38(30(2,3)4,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,29,34H,7,23-25H2,1-6H3/t29-,32+/m0/s1
InChIKeyBHGYVBIFKRYYLE-BHDXBOSCSA-N
XLogP5.75
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.79
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine?
The IUPAC name of N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine (CID 102350254) is N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine is CC[C@@](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)([C@@H]1COC(C)(C)O1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine?
The InChIKey is BHGYVBIFKRYYLE-BHDXBOSCSA-N. The full InChI is InChI=1S/C32H43NO4Si/c1-7-32(29-24-35-31(5,6)37-29,33(34)23-26-17-11-8-12-18-26)25-36-38(30(2,3)4,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,29,34H,7,23-25H2,1-6H3/t29-,32+/m0/s1.
What are the key properties of N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine?
N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine has a molecular weight of 533.79 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]hydroxylamine is sourced from PubChem (CID 102350254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).