2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid

C15H23NO6Si — CID 174032259

IUPAC2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
SMILESCCO[Si](CCCNC(=O)c1ccccc1C(=O)O)(OC)OC
InChIInChI=1S/C15H23NO6Si/c1-4-22-23(20-2,21-3)11-7-10-16-14(17)12-8-5-6-9-13(12)15(18)19/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWOXVCYISAWYWQK-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.77
Rot. Bonds10

About 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid

2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid (PubChem CID 174032259) has the molecular formula C15H23NO6Si and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
PubChem CID174032259
Molecular FormulaC15H23NO6Si
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
SMILESCCO[Si](CCCNC(=O)c1ccccc1C(=O)O)(OC)OC
InChIInChI=1S/C15H23NO6Si/c1-4-22-23(20-2,21-3)11-7-10-16-14(17)12-8-5-6-9-13(12)15(18)19/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWOXVCYISAWYWQK-UHFFFAOYSA-N
XLogP1.77
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid 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

2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid
CID 102404606
5-[4-carboxy-3-(3-trimethoxysilylpropylcarbamoyl)phenyl]-2-(3-trimethoxysilylpropylcarbamoyl)benzoic acid
CID 174032167
4-[4-carboxy-3-(4-triethoxysilylbutylcarbamoyl)phenyl]-2-(4-triethoxysilylbutylcarbamoyl)benzoic acid
CID 158572965
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(nonylcarbamoyl)benzoic acid
CID 177437719
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
2,5-bis[3-[diethoxy(methyl)silyl]propylcarbamoyl]terephthalic acid
CID 166567624
5-[4-carboxy-3-[3-[diethoxy(methyl)silyl]propylcarbamoyl]phenyl]-2-[3-[diethoxy(methyl)silyl]propylcarbamoyl]benzoic acid
CID 174032252
5-[4-carboxy-3-[3-[ethoxy(dimethyl)silyl]propylcarbamoyl]benzoyl]-2-[3-[ethoxy(dimethyl)silyl]propylcarbamoyl]benzoic acid
CID 174032254
2-(butylcarbamoyl)benzoic acid;methyl 3-(butylcarbamoyl)benzoate
CID 70467136

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid?
The IUPAC name of 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid (CID 174032259) is 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid is CCO[Si](CCCNC(=O)c1ccccc1C(=O)O)(OC)OC.
What is the InChIKey of 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid?
The InChIKey is WOXVCYISAWYWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6Si/c1-4-22-23(20-2,21-3)11-7-10-16-14(17)12-8-5-6-9-13(12)15(18)19/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid?
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid has a molecular weight of 341.44 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid is sourced from PubChem (CID 174032259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).