4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide

C18H29NO4Si — CID 11013581

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1O[Si](C)(C)C(C)(C)C)OCO2
InChIInChI=1S/C18H29NO4Si/c1-8-19(9-2)17(20)13-10-11-14-16(22-12-21-14)15(13)23-24(6,7)18(3,4)5/h10-11H,8-9,12H2,1-7H3
InChIKeyGYTDAZAJBZBKQG-UHFFFAOYSA-N
MW351.52 g/mol
LogP4.28
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide

4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 11013581) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide
PubChem CID11013581
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1O[Si](C)(C)C(C)(C)C)OCO2
InChIInChI=1S/C18H29NO4Si/c1-8-19(9-2)17(20)13-10-11-14-16(22-12-21-14)15(13)23-24(6,7)18(3,4)5/h10-11H,8-9,12H2,1-7H3
InChIKeyGYTDAZAJBZBKQG-UHFFFAOYSA-N
XLogP4.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide (CID 11013581) is 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1O[Si](C)(C)C(C)(C)C)OCO2.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is GYTDAZAJBZBKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-8-19(9-2)17(20)13-10-11-14-16(22-12-21-14)15(13)23-24(6,7)18(3,4)5/h10-11H,8-9,12H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 11013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).