ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate

C17H17NO5 — CID 5274055

IUPACethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H17NO5/c1-3-23-17(21)11-4-6-12(7-5-11)18-16(20)14-9-8-13(22-2)10-15(14)19/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyPGULAHGZTHLJTB-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.83
Rot. Bonds5

About ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate

ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate (PubChem CID 5274055) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate
PubChem CID5274055
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Nameethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H17NO5/c1-3-23-17(21)11-4-6-12(7-5-11)18-16(20)14-9-8-13(22-2)10-15(14)19/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyPGULAHGZTHLJTB-UHFFFAOYSA-N
XLogP2.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate (CID 5274055) is ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2O)cc1.
What is the InChIKey of ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate?
The InChIKey is PGULAHGZTHLJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-23-17(21)11-4-6-12(7-5-11)18-16(20)14-9-8-13(22-2)10-15(14)19/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate?
ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate has a molecular weight of 315.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 5274055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).