tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

C26H38N2O5Si — CID 86708028

IUPACtert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCON(C)C(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H38N2O5Si/c1-25(2,3)33-24(30)27-22(23(29)28(7)31-8)19-32-34(26(4,5)6,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,19H2,1-8H3,(H,27,30)/t22-/m1/s1
InChIKeyASOWUDOZDNAHKI-JOCHJYFZSA-N
MW486.69 g/mol
LogP3.48
Rot. Bonds8

About tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 86708028) has the molecular formula C26H38N2O5Si and a molecular weight of 486.69 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID86708028
Molecular FormulaC26H38N2O5Si
Molecular Weight486.69 g/mol
Exact Mass486.25
IUPAC Nametert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCON(C)C(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H38N2O5Si/c1-25(2,3)33-24(30)27-22(23(29)28(7)31-8)19-32-34(26(4,5)6,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,19H2,1-8H3,(H,27,30)/t22-/m1/s1
InChIKeyASOWUDOZDNAHKI-JOCHJYFZSA-N
XLogP3.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 53.48
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 tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate (CID 86708028) is tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate is CON(C)C(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is ASOWUDOZDNAHKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H38N2O5Si/c1-25(2,3)33-24(30)27-22(23(29)28(7)31-8)19-32-34(26(4,5)6,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,19H2,1-8H3,(H,27,30)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 486.69 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 86708028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).