tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide

C24H34NO3Si- — CID 163824095

IUPACtert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide
SMILESCC(C)(C)OC(=O)N1CC(O[SiH-](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H34NO3Si/c1-23(2,3)27-22(26)25-17-19(18-25)28-29(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,29H,17-18H2,1-6H3/q-1
InChIKeyNXXROUIYQDCPFC-UHFFFAOYSA-N
MW412.63 g/mol
LogP3.91
Rot. Bonds4

About tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide

tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide (PubChem CID 163824095) has the molecular formula C24H34NO3Si- and a molecular weight of 412.63 g/mol. Its IUPAC name is tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide.

Molecular Properties

Compound Nametert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide
PubChem CID163824095
Molecular FormulaC24H34NO3Si-
Molecular Weight412.63 g/mol
Exact Mass412.23
IUPAC Nametert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide
SMILESCC(C)(C)OC(=O)N1CC(O[SiH-](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H34NO3Si/c1-23(2,3)27-22(26)25-17-19(18-25)28-29(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,29H,17-18H2,1-6H3/q-1
InChIKeyNXXROUIYQDCPFC-UHFFFAOYSA-N
XLogP3.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide?
The IUPAC name of tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide (CID 163824095) is tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide.
What is the SMILES notation for tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide?
The canonical SMILES for tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide is CC(C)(C)OC(=O)N1CC(O[SiH-](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide?
The InChIKey is NXXROUIYQDCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34NO3Si/c1-23(2,3)27-22(26)25-17-19(18-25)28-29(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,29H,17-18H2,1-6H3/q-1.
What are the key properties of tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide?
tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide has a molecular weight of 412.63 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-diphenylsilanuide is sourced from PubChem (CID 163824095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).