tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate

C30H44N2O3Si — CID 86762261

IUPACtert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CC1
InChIInChI=1S/C30H44N2O3Si/c1-29(2,3)34-28(33)31-23-17-19-24(20-18-23)32-21-25(22-32)35-36(30(4,5)6,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-16,23-25H,17-22H2,1-6H3,(H,31,33)
InChIKeyXIOXHTOCEMNICF-UHFFFAOYSA-N
MW508.78 g/mol
LogP5.08
Rot. Bonds6

About tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate

tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate (PubChem CID 86762261) has the molecular formula C30H44N2O3Si and a molecular weight of 508.78 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate
PubChem CID86762261
Molecular FormulaC30H44N2O3Si
Molecular Weight508.78 g/mol
Exact Mass508.31
IUPAC Nametert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CC1
InChIInChI=1S/C30H44N2O3Si/c1-29(2,3)34-28(33)31-23-17-19-24(20-18-23)32-21-25(22-32)35-36(30(4,5)6,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-16,23-25H,17-22H2,1-6H3,(H,31,33)
InChIKeyXIOXHTOCEMNICF-UHFFFAOYSA-N
XLogP5.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.78
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(1S,2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamate
CID 123317914
tert-butyl [(1S*,2S*,4R*)-4-{[tert-butyl(diphenyl)silyl]oxy}-2-fluorocyclohexyl]carbamate
CID 131732234
tert-butyl N-[(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamate
CID 141291387
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278252
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 11527005
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
tert-butyl N-[(2S)-6-amino-1-[tert-butyl(diphenyl)silyl]oxyhexan-2-yl]carbamate
CID 101750563
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]carbamate
CID 101777677
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11177779
tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate
CID 58007047

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate (CID 86762261) is tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate?
The InChIKey is XIOXHTOCEMNICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O3Si/c1-29(2,3)34-28(33)31-23-17-19-24(20-18-23)32-21-25(22-32)35-36(30(4,5)6,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-16,23-25H,17-22H2,1-6H3,(H,31,33).
What are the key properties of tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate has a molecular weight of 508.78 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]cyclohexyl]carbamate is sourced from PubChem (CID 86762261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).