4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one

C22H37NO4Si — CID 131747385

IUPAC4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one
SMILESCC(O)CC1(C)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H37NO4Si/c1-17(24)13-22(5)20(25)23(14-18-11-9-8-10-12-18)19(15-26-22)16-27-28(6,7)21(2,3)4/h8-12,17,19,24H,13-16H2,1-7H3
InChIKeyCDIFNLUFHATRAG-UHFFFAOYSA-N
MW407.63 g/mol
LogP3.97
Rot. Bonds7

About 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one

4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one (PubChem CID 131747385) has the molecular formula C22H37NO4Si and a molecular weight of 407.63 g/mol. Its IUPAC name is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one
PubChem CID131747385
Molecular FormulaC22H37NO4Si
Molecular Weight407.63 g/mol
Exact Mass407.25
IUPAC Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one
SMILESCC(O)CC1(C)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H37NO4Si/c1-17(24)13-22(5)20(25)23(14-18-11-9-8-10-12-18)19(15-26-22)16-27-28(6,7)21(2,3)4/h8-12,17,19,24H,13-16H2,1-7H3
InChIKeyCDIFNLUFHATRAG-UHFFFAOYSA-N
XLogP3.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 53.97
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 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one?
The IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one (CID 131747385) is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one?
The canonical SMILES for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one is CC(O)CC1(C)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one?
The InChIKey is CDIFNLUFHATRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4Si/c1-17(24)13-22(5)20(25)23(14-18-11-9-8-10-12-18)19(15-26-22)16-27-28(6,7)21(2,3)4/h8-12,17,19,24H,13-16H2,1-7H3.
What are the key properties of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one?
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one has a molecular weight of 407.63 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropyl)-2-methylmorpholin-3-one is sourced from PubChem (CID 131747385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).