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

C23H33NO5Si — CID 88612540

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C23H33NO5Si/c1-16(2)24-22(26)21-20(27-14-17-11-9-8-10-12-17)19(25)13-18(29-21)15-28-30(6,7)23(3,4)5/h8-13,16H,14-15H2,1-7H3,(H,24,26)
InChIKeyLBENNMXJMPLTSK-UHFFFAOYSA-N
MW431.61 g/mol
LogP4.88
Rot. Bonds8

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

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (PubChem CID 88612540) has the molecular formula C23H33NO5Si and a molecular weight of 431.61 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
PubChem CID88612540
Molecular FormulaC23H33NO5Si
Molecular Weight431.61 g/mol
Exact Mass431.21
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C23H33NO5Si/c1-16(2)24-22(26)21-20(27-14-17-11-9-8-10-12-17)19(25)13-18(29-21)15-28-30(6,7)23(3,4)5/h8-13,16H,14-15H2,1-7H3,(H,24,26)
InChIKeyLBENNMXJMPLTSK-UHFFFAOYSA-N
XLogP4.88
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 134575760
tert-butyl N-[2-[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxypyran-2-carbonyl]-[(4-fluorophenyl)methyl]amino]ethyl]carbamate
CID 87714235
6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
CID 157337433
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70369375
3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
CID 155631123
6-methyl-N-naphthalen-1-yl-4-oxo-3-phenylmethoxypyran-2-carboxamide
CID 44593096
tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate
CID 154202763
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one
CID 22937909
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide
CID 177070458
tert-butyl N-[4-oxo-3-phenylmethoxy-2-(propan-2-ylcarbamoyl)-1-pyridinyl]carbamate
CID 168831893
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
CID 69233279

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (CID 88612540) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is CC(C)NC(=O)c1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1OCc1ccccc1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The InChIKey is LBENNMXJMPLTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO5Si/c1-16(2)24-22(26)21-20(27-14-17-11-9-8-10-12-17)19(25)13-18(29-21)15-28-30(6,7)23(3,4)5/h8-13,16H,14-15H2,1-7H3,(H,24,26).
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide has a molecular weight of 431.61 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is sourced from PubChem (CID 88612540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).