4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid

C25H23NO7 — CID 110178303

IUPAC4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid
SMILESCCOc1ccccc1C(=O)Nc1ccc(C(=O)O)c(OC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C25H23NO7/c1-3-31-20-11-7-5-9-17(20)23(27)26-16-13-14-18(24(28)29)22(15-16)33-25(30)19-10-6-8-12-21(19)32-4-2/h5-15H,3-4H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyLZWVZMJJGHSZAW-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.65
Rot. Bonds9

About 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid

4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid (PubChem CID 110178303) has the molecular formula C25H23NO7 and a molecular weight of 449.46 g/mol. Its IUPAC name is 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid
PubChem CID110178303
Molecular FormulaC25H23NO7
Molecular Weight449.46 g/mol
Exact Mass449.15
IUPAC Name4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid
SMILESCCOc1ccccc1C(=O)Nc1ccc(C(=O)O)c(OC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C25H23NO7/c1-3-31-20-11-7-5-9-17(20)23(27)26-16-13-14-18(24(28)29)22(15-16)33-25(30)19-10-6-8-12-21(19)32-4-2/h5-15H,3-4H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyLZWVZMJJGHSZAW-UHFFFAOYSA-N
XLogP4.65
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic 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-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
2-ethoxy-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782949
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid?
The IUPAC name of 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid (CID 110178303) is 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid?
The canonical SMILES for 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid is CCOc1ccccc1C(=O)Nc1ccc(C(=O)O)c(OC(=O)c2ccccc2OCC)c1.
What is the InChIKey of 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid?
The InChIKey is LZWVZMJJGHSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7/c1-3-31-20-11-7-5-9-17(20)23(27)26-16-13-14-18(24(28)29)22(15-16)33-25(30)19-10-6-8-12-21(19)32-4-2/h5-15H,3-4H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid?
4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid has a molecular weight of 449.46 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 110178303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).