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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Related Compounds

2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-N,N-diethylbenzamide
CID 11419229
2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
CID 167717212
4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
CID 3074361
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
CID 167725112
6-[tert-butyl(dimethyl)silyl]oxy-7,8-diphenyl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene-9-carboxylic acid
CID 69228002
ethyl 3-(4-methyl-1,3-benzodioxol-5-yl)-3-oxopropanoate
CID 70925429
6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide
CID 142940942
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
[4-[(E)-2-cyanoethenyl]-1,3-benzodioxol-5-yl] N,N-diethylcarbamate
CID 71605330
N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide
CID 10515700
ethyl 5-bromo-1,3-benzodioxole-4-carboxylate
CID 131589797

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).