3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide

C18H32N2O4Si — CID 66813170

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(O)COCC(C)O[Si](C)(C)C(C)(C)C)nc1
InChIInChI=1S/C18H32N2O4Si/c1-13-8-9-16(19-10-13)20-17(22)15(21)12-23-11-14(2)24-25(6,7)18(3,4)5/h8-10,14-15,21H,11-12H2,1-7H3,(H,19,20,22)
InChIKeyLKFMYSVHXFBKQO-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.12
Rot. Bonds8

About 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide

3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 66813170) has the molecular formula C18H32N2O4Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID66813170
Molecular FormulaC18H32N2O4Si
Molecular Weight368.55 g/mol
Exact Mass368.21
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(O)COCC(C)O[Si](C)(C)C(C)(C)C)nc1
InChIInChI=1S/C18H32N2O4Si/c1-13-8-9-16(19-10-13)20-17(22)15(21)12-23-11-14(2)24-25(6,7)18(3,4)5/h8-10,14-15,21H,11-12H2,1-7H3,(H,19,20,22)
InChIKeyLKFMYSVHXFBKQO-UHFFFAOYSA-N
XLogP3.12
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide (CID 66813170) is 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(O)COCC(C)O[Si](C)(C)C(C)(C)C)nc1.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is LKFMYSVHXFBKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4Si/c1-13-8-9-16(19-10-13)20-17(22)15(21)12-23-11-14(2)24-25(6,7)18(3,4)5/h8-10,14-15,21H,11-12H2,1-7H3,(H,19,20,22).
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide?
3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 368.55 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 66813170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).