CID 70269487

C25H35N2O4Si — CID 70269487

IUPAC—
SMILESC[Si](C)OC(CCC(C)(C)C)c1ccccc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C25H35N2O4Si/c1-25(2,3)16-15-22(31-32(4)5)20-13-9-10-14-21(20)27-23(28)17-26-24(29)30-18-19-11-7-6-8-12-19/h6-14,22H,15-18H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyVISGZDLICAFKLP-UHFFFAOYSA-N
MW455.65 g/mol
LogP5.69
Rot. Bonds10

About CID 70269487

CID 70269487 (PubChem CID 70269487) has the molecular formula C25H35N2O4Si and a molecular weight of 455.65 g/mol.

Molecular Properties

Compound NameCID 70269487
PubChem CID70269487
Molecular FormulaC25H35N2O4Si
Molecular Weight455.65 g/mol
Exact Mass455.24
IUPAC Name—
SMILESC[Si](C)OC(CCC(C)(C)C)c1ccccc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C25H35N2O4Si/c1-25(2,3)16-15-22(31-32(4)5)20-13-9-10-14-21(20)27-23(28)17-26-24(29)30-18-19-11-7-6-8-12-19/h6-14,22H,15-18H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyVISGZDLICAFKLP-UHFFFAOYSA-N
XLogP5.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 CID 70269487?
The IUPAC name of CID 70269487 (CID 70269487) is not available.
What is the SMILES notation for CID 70269487?
The canonical SMILES for CID 70269487 is C[Si](C)OC(CCC(C)(C)C)c1ccccc1NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of CID 70269487?
The InChIKey is VISGZDLICAFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N2O4Si/c1-25(2,3)16-15-22(31-32(4)5)20-13-9-10-14-21(20)27-23(28)17-26-24(29)30-18-19-11-7-6-8-12-19/h6-14,22H,15-18H2,1-5H3,(H,26,29)(H,27,28).
What are the key properties of CID 70269487?
CID 70269487 has a molecular weight of 455.65 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70269487 is sourced from PubChem (CID 70269487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).