2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate

C23H19N2O5- — CID 9325388

IUPAC2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1
InChIInChI=1S/C23H20N2O5/c1-2-30-18-13-9-16(10-14-18)21(26)24-17-11-7-15(8-12-17)22(27)25-20-6-4-3-5-19(20)23(28)29/h3-14H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29)/p-1
InChIKeyYWPKQFNMFLJEKF-UHFFFAOYSA-M
MW403.41 g/mol
LogP2.95
Rot. Bonds7

About 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate

2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate (PubChem CID 9325388) has the molecular formula C23H19N2O5- and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Name2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate
PubChem CID9325388
Molecular FormulaC23H19N2O5-
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1
InChIInChI=1S/C23H20N2O5/c1-2-30-18-13-9-16(10-14-18)21(26)24-17-11-7-15(8-12-17)22(27)25-20-6-4-3-5-19(20)23(28)29/h3-14H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29)/p-1
InChIKeyYWPKQFNMFLJEKF-UHFFFAOYSA-M
XLogP2.95
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]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

Related Compounds

1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-(methoxymethyl)benzamide
CID 39089763
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate?
The IUPAC name of 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate (CID 9325388) is 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate is CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1.
What is the InChIKey of 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate?
The InChIKey is YWPKQFNMFLJEKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20N2O5/c1-2-30-18-13-9-16(10-14-18)21(26)24-17-11-7-15(8-12-17)22(27)25-20-6-4-3-5-19(20)23(28)29/h3-14H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29)/p-1.
What are the key properties of 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate?
2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate has a molecular weight of 403.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 9325388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).