tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate

C18H32N2O3Si — CID 23150978

IUPACtert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(CO[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C18H32N2O3Si/c1-17(2,3)23-16(21)20(7)15-12-14(10-11-19-15)13-22-24(8,9)18(4,5)6/h10-12H,13H2,1-9H3
InChIKeyQVBSQNTYMFAZGP-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.97
Rot. Bonds4

About tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate

tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate (PubChem CID 23150978) has the molecular formula C18H32N2O3Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
PubChem CID23150978
Molecular FormulaC18H32N2O3Si
Molecular Weight352.55 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(CO[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C18H32N2O3Si/c1-17(2,3)23-16(21)20(7)15-12-14(10-11-19-15)13-22-24(8,9)18(4,5)6/h10-12H,13H2,1-9H3
InChIKeyQVBSQNTYMFAZGP-UHFFFAOYSA-N
XLogP4.97
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
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 N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate (CID 23150978) is tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(CO[Si](C)(C)C(C)(C)C)ccn1.
What is the InChIKey of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate?
The InChIKey is QVBSQNTYMFAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3Si/c1-17(2,3)23-16(21)20(7)15-12-14(10-11-19-15)13-22-24(8,9)18(4,5)6/h10-12H,13H2,1-9H3.
What are the key properties of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate?
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate has a molecular weight of 352.55 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 23150978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).