N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide

C22H34FNO5Si — CID 172562413

IUPACN-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cc(F)c(C)c2c1C(=O)C(O)(COCCO[Si](C)(C)C(C)(C)C)CC2
InChIInChI=1S/C22H34FNO5Si/c1-14-16-8-9-22(27,13-28-10-11-29-30(6,7)21(3,4)5)20(26)19(16)18(12-17(14)23)24-15(2)25/h12,27H,8-11,13H2,1-7H3,(H,24,25)
InChIKeyQNDISXOECQKWBU-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.99
Rot. Bonds7

About N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide

N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide (PubChem CID 172562413) has the molecular formula C22H34FNO5Si and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
PubChem CID172562413
Molecular FormulaC22H34FNO5Si
Molecular Weight439.60 g/mol
Exact Mass439.22
IUPAC NameN-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cc(F)c(C)c2c1C(=O)C(O)(COCCO[Si](C)(C)C(C)(C)C)CC2
InChIInChI=1S/C22H34FNO5Si/c1-14-16-8-9-22(27,13-28-10-11-29-30(6,7)21(3,4)5)20(26)19(16)18(12-17(14)23)24-15(2)25/h12,27H,8-11,13H2,1-7H3,(H,24,25)
InChIKeyQNDISXOECQKWBU-UHFFFAOYSA-N
XLogP3.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.99
H-Bond Donors ≤ 52
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 N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide (CID 172562413) is N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide is CC(=O)Nc1cc(F)c(C)c2c1C(=O)C(O)(COCCO[Si](C)(C)C(C)(C)C)CC2.
What is the InChIKey of N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
The InChIKey is QNDISXOECQKWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO5Si/c1-14-16-8-9-22(27,13-28-10-11-29-30(6,7)21(3,4)5)20(26)19(16)18(12-17(14)23)24-15(2)25/h12,27H,8-11,13H2,1-7H3,(H,24,25).
What are the key properties of N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide has a molecular weight of 439.60 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 172562413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).