tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

C20H35NO3Si — CID 59724972

IUPACtert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C20H35NO3Si/c1-19(2,3)24-18(22)21(16-17-12-10-9-11-13-17)14-15-23-25(7,8)20(4,5)6/h9-13H,14-16H2,1-8H3
InChIKeyRTFPRHLBCJLMSM-UHFFFAOYSA-N
MW365.59 g/mol
LogP5.45
Rot. Bonds6

About tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (PubChem CID 59724972) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
PubChem CID59724972
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC Nametert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C20H35NO3Si/c1-19(2,3)24-18(22)21(16-17-12-10-9-11-13-17)14-15-23-25(7,8)20(4,5)6/h9-13H,14-16H2,1-8H3
InChIKeyRTFPRHLBCJLMSM-UHFFFAOYSA-N
XLogP5.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.59
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)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-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (CID 59724972) is tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The InChIKey is RTFPRHLBCJLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-19(2,3)24-18(22)21(16-17-12-10-9-11-13-17)14-15-23-25(7,8)20(4,5)6/h9-13H,14-16H2,1-8H3.
What are the key properties of tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate has a molecular weight of 365.59 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is sourced from PubChem (CID 59724972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).