tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate

C29H41NO4Si — CID 58800370

IUPACtert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C29H41NO4Si/c1-28(2,3)33-26(31)21-30-27(32)22-14-13-15-23(20-22)34-35(29(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,22-23H,13-15,20-21H2,1-6H3,(H,30,32)
InChIKeyRLAZDJPLVMVICB-UHFFFAOYSA-N
MW495.74 g/mol
LogP4.58
Rot. Bonds7

About tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate

tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate (PubChem CID 58800370) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate
PubChem CID58800370
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Nametert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C29H41NO4Si/c1-28(2,3)33-26(31)21-30-27(32)22-14-13-15-23(20-22)34-35(29(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,22-23H,13-15,20-21H2,1-6H3,(H,30,32)
InChIKeyRLAZDJPLVMVICB-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate (CID 58800370) is tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate?
The InChIKey is RLAZDJPLVMVICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-28(2,3)33-26(31)21-30-27(32)22-14-13-15-23(20-22)34-35(29(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,22-23H,13-15,20-21H2,1-6H3,(H,30,32).
What are the key properties of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate?
tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate has a molecular weight of 495.74 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate is sourced from PubChem (CID 58800370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).