trimethylsilyl 2-(diethylcarbamoyl)benzoate

C15H23NO3Si — CID 12716767

IUPACtrimethylsilyl 2-(diethylcarbamoyl)benzoate
SMILESCCN(CC)C(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-6-16(7-2)14(17)12-10-8-9-11-13(12)15(18)19-20(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyJAYCETQWPFFQEE-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.16
Rot. Bonds5

About trimethylsilyl 2-(diethylcarbamoyl)benzoate

trimethylsilyl 2-(diethylcarbamoyl)benzoate (PubChem CID 12716767) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is trimethylsilyl 2-(diethylcarbamoyl)benzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(diethylcarbamoyl)benzoate
PubChem CID12716767
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Nametrimethylsilyl 2-(diethylcarbamoyl)benzoate
SMILESCCN(CC)C(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-6-16(7-2)14(17)12-10-8-9-11-13(12)15(18)19-20(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyJAYCETQWPFFQEE-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 2-(diethylcarbamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-(diethylcarbamoyl)benzoate
CID 135085837
trimethylsilyl 2-methylbenzoate
CID 577266
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
CID 59369605
CID 59369605
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735844
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
CID 173020221
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(diethylcarbamoyl)benzoate?
The IUPAC name of trimethylsilyl 2-(diethylcarbamoyl)benzoate (CID 12716767) is trimethylsilyl 2-(diethylcarbamoyl)benzoate.
What is the SMILES notation for trimethylsilyl 2-(diethylcarbamoyl)benzoate?
The canonical SMILES for trimethylsilyl 2-(diethylcarbamoyl)benzoate is CCN(CC)C(=O)c1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(diethylcarbamoyl)benzoate?
The InChIKey is JAYCETQWPFFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-6-16(7-2)14(17)12-10-8-9-11-13(12)15(18)19-20(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of trimethylsilyl 2-(diethylcarbamoyl)benzoate?
trimethylsilyl 2-(diethylcarbamoyl)benzoate has a molecular weight of 293.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(diethylcarbamoyl)benzoate is sourced from PubChem (CID 12716767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).