4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide

C26H29N3O5Si — CID 68863410

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
SMILESCC(C)(C)[Si](C)(C)OCc1coc(C(=O)NNC(=O)c2ccc(O)c(C#N)c2)c1-c1ccccc1
InChIInChI=1S/C26H29N3O5Si/c1-26(2,3)35(4,5)34-16-20-15-33-23(22(20)17-9-7-6-8-10-17)25(32)29-28-24(31)18-11-12-21(30)19(13-18)14-27/h6-13,15,30H,16H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyIXPPDLDUDKWIEP-UHFFFAOYSA-N
MW491.62 g/mol
LogP5.12
Rot. Bonds6

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide (PubChem CID 68863410) has the molecular formula C26H29N3O5Si and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
PubChem CID68863410
Molecular FormulaC26H29N3O5Si
Molecular Weight491.62 g/mol
Exact Mass491.19
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
SMILESCC(C)(C)[Si](C)(C)OCc1coc(C(=O)NNC(=O)c2ccc(O)c(C#N)c2)c1-c1ccccc1
InChIInChI=1S/C26H29N3O5Si/c1-26(2,3)35(4,5)34-16-20-15-33-23(22(20)17-9-7-6-8-10-17)25(32)29-28-24(31)18-11-12-21(30)19(13-18)14-27/h6-13,15,30H,16H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyIXPPDLDUDKWIEP-UHFFFAOYSA-N
XLogP5.12
TPSA124.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide (CID 68863410) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide is CC(C)(C)[Si](C)(C)OCc1coc(C(=O)NNC(=O)c2ccc(O)c(C#N)c2)c1-c1ccccc1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
The InChIKey is IXPPDLDUDKWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5Si/c1-26(2,3)35(4,5)34-16-20-15-33-23(22(20)17-9-7-6-8-10-17)25(32)29-28-24(31)18-11-12-21(30)19(13-18)14-27/h6-13,15,30H,16H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide has a molecular weight of 491.62 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide is sourced from PubChem (CID 68863410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).