4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide

C24H36N2O4Si — CID 90167893

IUPAC4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide
SMILESCOc1ccc(OCCO[Si](C)(C)C(C)(C)C)c(-c2ccc(C(=O)N(C)C)cc2C)n1
InChIInChI=1S/C24H36N2O4Si/c1-17-16-18(23(27)26(5)6)10-11-19(17)22-20(12-13-21(25-22)28-7)29-14-15-30-31(8,9)24(2,3)4/h10-13,16H,14-15H2,1-9H3
InChIKeyPPUMVRDLMCCPBP-UHFFFAOYSA-N
MW444.65 g/mol
LogP5.17
Rot. Bonds8

About 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide

4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide (PubChem CID 90167893) has the molecular formula C24H36N2O4Si and a molecular weight of 444.65 g/mol. Its IUPAC name is 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide
PubChem CID90167893
Molecular FormulaC24H36N2O4Si
Molecular Weight444.65 g/mol
Exact Mass444.24
IUPAC Name4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide
SMILESCOc1ccc(OCCO[Si](C)(C)C(C)(C)C)c(-c2ccc(C(=O)N(C)C)cc2C)n1
InChIInChI=1S/C24H36N2O4Si/c1-17-16-18(23(27)26(5)6)10-11-19(17)22-20(12-13-21(25-22)28-7)29-14-15-30-31(8,9)24(2,3)4/h10-13,16H,14-15H2,1-9H3
InChIKeyPPUMVRDLMCCPBP-UHFFFAOYSA-N
XLogP5.17
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.65
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide?
The IUPAC name of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide (CID 90167893) is 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide is COc1ccc(OCCO[Si](C)(C)C(C)(C)C)c(-c2ccc(C(=O)N(C)C)cc2C)n1.
What is the InChIKey of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide?
The InChIKey is PPUMVRDLMCCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4Si/c1-17-16-18(23(27)26(5)6)10-11-19(17)22-20(12-13-21(25-22)28-7)29-14-15-30-31(8,9)24(2,3)4/h10-13,16H,14-15H2,1-9H3.
What are the key properties of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide?
4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide has a molecular weight of 444.65 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 90167893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).