CID 22509341

C32H45N2O2Si — CID 22509341

IUPAC—
SMILESC[Si](C)OC(CCC(C)(C)C)N1C(=O)C(CN2CCC3(CCc4ccccc43)CC2)Cc2ccccc21
InChIInChI=1S/C32H45N2O2Si/c1-31(2,3)16-15-29(36-37(4)5)34-28-13-9-7-11-25(28)22-26(30(34)35)23-33-20-18-32(19-21-33)17-14-24-10-6-8-12-27(24)32/h6-13,26,29H,14-23H2,1-5H3
InChIKeyHKROPBNRUDXLBI-UHFFFAOYSA-N
MW517.81 g/mol
LogP6.59
Rot. Bonds7

About CID 22509341

CID 22509341 (PubChem CID 22509341) has the molecular formula C32H45N2O2Si and a molecular weight of 517.81 g/mol.

Molecular Properties

Compound NameCID 22509341
PubChem CID22509341
Molecular FormulaC32H45N2O2Si
Molecular Weight517.81 g/mol
Exact Mass517.33
IUPAC Name—
SMILESC[Si](C)OC(CCC(C)(C)C)N1C(=O)C(CN2CCC3(CCc4ccccc43)CC2)Cc2ccccc21
InChIInChI=1S/C32H45N2O2Si/c1-31(2,3)16-15-29(36-37(4)5)34-28-13-9-7-11-25(28)22-26(30(34)35)23-33-20-18-32(19-21-33)17-14-24-10-6-8-12-27(24)32/h6-13,26,29H,14-23H2,1-5H3
InChIKeyHKROPBNRUDXLBI-UHFFFAOYSA-N
XLogP6.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.81
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 22509341?
The IUPAC name of CID 22509341 (CID 22509341) is not available.
What is the SMILES notation for CID 22509341?
The canonical SMILES for CID 22509341 is C[Si](C)OC(CCC(C)(C)C)N1C(=O)C(CN2CCC3(CCc4ccccc43)CC2)Cc2ccccc21.
What is the InChIKey of CID 22509341?
The InChIKey is HKROPBNRUDXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N2O2Si/c1-31(2,3)16-15-29(36-37(4)5)34-28-13-9-7-11-25(28)22-26(30(34)35)23-33-20-18-32(19-21-33)17-14-24-10-6-8-12-27(24)32/h6-13,26,29H,14-23H2,1-5H3.
What are the key properties of CID 22509341?
CID 22509341 has a molecular weight of 517.81 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22509341 is sourced from PubChem (CID 22509341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).