CID 68922974

C35H43N2O5Si — CID 68922974

IUPAC—
SMILESCCCOc1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1C(O[Si](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H43N2O5Si/c1-5-24-40-30-19-17-28-29(18-16-25-20-22-37(23-21-25)34(38)39)36-41-32(28)31(30)33(35(2,3)4)42-43(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-15,17,19,25,33H,5,16,18,20-24H2,1-4H3,(H,38,39)
InChIKeyNDPXLFWKQDDCKQ-UHFFFAOYSA-N
MW599.82 g/mol
LogP6.85
Rot. Bonds11

About CID 68922974

CID 68922974 (PubChem CID 68922974) has the molecular formula C35H43N2O5Si and a molecular weight of 599.82 g/mol.

Molecular Properties

Compound NameCID 68922974
PubChem CID68922974
Molecular FormulaC35H43N2O5Si
Molecular Weight599.82 g/mol
Exact Mass599.29
IUPAC Name—
SMILESCCCOc1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1C(O[Si](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H43N2O5Si/c1-5-24-40-30-19-17-28-29(18-16-25-20-22-37(23-21-25)34(38)39)36-41-32(28)31(30)33(35(2,3)4)42-43(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-15,17,19,25,33H,5,16,18,20-24H2,1-4H3,(H,38,39)
InChIKeyNDPXLFWKQDDCKQ-UHFFFAOYSA-N
XLogP6.85
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.82
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 68922974?
The IUPAC name of CID 68922974 (CID 68922974) is not available.
What is the SMILES notation for CID 68922974?
The canonical SMILES for CID 68922974 is CCCOc1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1C(O[Si](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 68922974?
The InChIKey is NDPXLFWKQDDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N2O5Si/c1-5-24-40-30-19-17-28-29(18-16-25-20-22-37(23-21-25)34(38)39)36-41-32(28)31(30)33(35(2,3)4)42-43(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-15,17,19,25,33H,5,16,18,20-24H2,1-4H3,(H,38,39).
What are the key properties of CID 68922974?
CID 68922974 has a molecular weight of 599.82 g/mol, XLogP of 6.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68922974 is sourced from PubChem (CID 68922974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).