3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide

C20H35NO5Si — CID 155631127

IUPAC3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)oc(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C20H35NO5Si/c1-9-10-11-24-17-16(22)12-15(13-25-27(7,8)20(4,5)6)26-18(17)19(23)21-14(2)3/h12,14H,9-11,13H2,1-8H3,(H,21,23)
InChIKeyCFMNICBDAUIAAP-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.48
Rot. Bonds9

About 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide

3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide (PubChem CID 155631127) has the molecular formula C20H35NO5Si and a molecular weight of 397.59 g/mol. Its IUPAC name is 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide
PubChem CID155631127
Molecular FormulaC20H35NO5Si
Molecular Weight397.59 g/mol
Exact Mass397.23
IUPAC Name3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)oc(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C20H35NO5Si/c1-9-10-11-24-17-16(22)12-15(13-25-27(7,8)20(4,5)6)26-18(17)19(23)21-14(2)3/h12,14H,9-11,13H2,1-8H3,(H,21,23)
InChIKeyCFMNICBDAUIAAP-UHFFFAOYSA-N
XLogP4.48
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide?
The IUPAC name of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide (CID 155631127) is 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide.
What is the SMILES notation for 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide?
The canonical SMILES for 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide is CCCCOc1c(C(=O)NC(C)C)oc(CO[Si](C)(C)C(C)(C)C)cc1=O.
What is the InChIKey of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide?
The InChIKey is CFMNICBDAUIAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5Si/c1-9-10-11-24-17-16(22)12-15(13-25-27(7,8)20(4,5)6)26-18(17)19(23)21-14(2)3/h12,14H,9-11,13H2,1-8H3,(H,21,23).
What are the key properties of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide?
3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide has a molecular weight of 397.59 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide is sourced from PubChem (CID 155631127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).