(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione

C26H33NO2Si — CID 154525397

IUPAC(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione
SMILESCC(C)(C)[Si](C)(C)c1ccc([C@H]2N(c3ccccc3)C(=O)C23CCC(=O)CC3)cc1
InChIInChI=1S/C26H33NO2Si/c1-25(2,3)30(4,5)22-13-11-19(12-14-22)23-26(17-15-21(28)16-18-26)24(29)27(23)20-9-7-6-8-10-20/h6-14,23H,15-18H2,1-5H3/t23-/m1/s1
InChIKeyXWVDVVWDRZSKPE-HSZRJFAPSA-N
MW419.64 g/mol
LogP5.62
Rot. Bonds3

About (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione

(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione (PubChem CID 154525397) has the molecular formula C26H33NO2Si and a molecular weight of 419.64 g/mol. Its IUPAC name is (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione.

Molecular Properties

Compound Name(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione
PubChem CID154525397
Molecular FormulaC26H33NO2Si
Molecular Weight419.64 g/mol
Exact Mass419.23
IUPAC Name(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione
SMILESCC(C)(C)[Si](C)(C)c1ccc([C@H]2N(c3ccccc3)C(=O)C23CCC(=O)CC3)cc1
InChIInChI=1S/C26H33NO2Si/c1-25(2,3)30(4,5)22-13-11-19(12-14-22)23-26(17-15-21(28)16-18-26)24(29)27(23)20-9-7-6-8-10-20/h6-14,23H,15-18H2,1-5H3/t23-/m1/s1
InChIKeyXWVDVVWDRZSKPE-HSZRJFAPSA-N
XLogP5.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione?
The IUPAC name of (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione (CID 154525397) is (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione.
What is the SMILES notation for (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione?
The canonical SMILES for (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione is CC(C)(C)[Si](C)(C)c1ccc([C@H]2N(c3ccccc3)C(=O)C23CCC(=O)CC3)cc1.
What is the InChIKey of (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione?
The InChIKey is XWVDVVWDRZSKPE-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33NO2Si/c1-25(2,3)30(4,5)22-13-11-19(12-14-22)23-26(17-15-21(28)16-18-26)24(29)27(23)20-9-7-6-8-10-20/h6-14,23H,15-18H2,1-5H3/t23-/m1/s1.
What are the key properties of (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione?
(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione has a molecular weight of 419.64 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione is sourced from PubChem (CID 154525397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).