tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate

C27H39NO4Si — CID 70863180

IUPACtert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
SMILESCCCC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-8-15-24(29)28(25(30)32-26(2,3)4)20-21-31-33(27(5,6)7,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h9-14,16-19H,8,15,20-21H2,1-7H3
InChIKeyUPIRNKPKVMFARC-UHFFFAOYSA-N
MW469.70 g/mol
LogP5.13
Rot. Bonds8

About tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate

tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate (PubChem CID 70863180) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
PubChem CID70863180
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
SMILESCCCC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-8-15-24(29)28(25(30)32-26(2,3)4)20-21-31-33(27(5,6)7,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h9-14,16-19H,8,15,20-21H2,1-7H3
InChIKeyUPIRNKPKVMFARC-UHFFFAOYSA-N
XLogP5.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.70
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate 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 N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate (CID 70863180) is tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate is CCCC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
The InChIKey is UPIRNKPKVMFARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-8-15-24(29)28(25(30)32-26(2,3)4)20-21-31-33(27(5,6)7,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h9-14,16-19H,8,15,20-21H2,1-7H3.
What are the key properties of tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate has a molecular weight of 469.70 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate is sourced from PubChem (CID 70863180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).