CID 169223292

C32H38NO4Si — CID 169223292

IUPAC—
SMILESCC(C)(C)c1ccc([Si](OOC(=O)CN(Cc2ccccc2)C(=O)CC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C32H38NO4Si/c1-32(2,3)27-18-20-29(21-19-27)38(28-16-8-5-9-17-28)37-36-31(35)24-33(23-26-14-6-4-7-15-26)30(34)22-25-12-10-11-13-25/h4-9,14-21,25H,10-13,22-24H2,1-3H3
InChIKeyVCFCROJAJXLRSL-UHFFFAOYSA-N
MW528.75 g/mol
LogP5.17
Rot. Bonds10

About CID 169223292

CID 169223292 (PubChem CID 169223292) has the molecular formula C32H38NO4Si and a molecular weight of 528.75 g/mol.

Molecular Properties

Compound NameCID 169223292
PubChem CID169223292
Molecular FormulaC32H38NO4Si
Molecular Weight528.75 g/mol
Exact Mass528.26
IUPAC Name—
SMILESCC(C)(C)c1ccc([Si](OOC(=O)CN(Cc2ccccc2)C(=O)CC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C32H38NO4Si/c1-32(2,3)27-18-20-29(21-19-27)38(28-16-8-5-9-17-28)37-36-31(35)24-33(23-26-14-6-4-7-15-26)30(34)22-25-12-10-11-13-25/h4-9,14-21,25H,10-13,22-24H2,1-3H3
InChIKeyVCFCROJAJXLRSL-UHFFFAOYSA-N
XLogP5.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.75
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid
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N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
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1,1-dibenzyl-3-(cyclohexylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of CID 169223292?
The IUPAC name of CID 169223292 (CID 169223292) is not available.
What is the SMILES notation for CID 169223292?
The canonical SMILES for CID 169223292 is CC(C)(C)c1ccc([Si](OOC(=O)CN(Cc2ccccc2)C(=O)CC2CCCC2)c2ccccc2)cc1.
What is the InChIKey of CID 169223292?
The InChIKey is VCFCROJAJXLRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38NO4Si/c1-32(2,3)27-18-20-29(21-19-27)38(28-16-8-5-9-17-28)37-36-31(35)24-33(23-26-14-6-4-7-15-26)30(34)22-25-12-10-11-13-25/h4-9,14-21,25H,10-13,22-24H2,1-3H3.
What are the key properties of CID 169223292?
CID 169223292 has a molecular weight of 528.75 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169223292 is sourced from PubChem (CID 169223292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).