3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid

C25H24N2O6 — CID 1364896

IUPAC3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC)c3)cc(C(=O)O)c2)c1
InChIInChI=1S/C25H24N2O6/c1-3-32-21-9-5-7-16(13-21)23(28)26-19-11-18(25(30)31)12-20(15-19)27-24(29)17-8-6-10-22(14-17)33-4-2/h5-15H,3-4H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyGBYPUBDIMYXXAC-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.69
Rot. Bonds9

About 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid

3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid (PubChem CID 1364896) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
PubChem CID1364896
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC)c3)cc(C(=O)O)c2)c1
InChIInChI=1S/C25H24N2O6/c1-3-32-21-9-5-7-16(13-21)23(28)26-19-11-18(25(30)31)12-20(15-19)27-24(29)17-8-6-10-22(14-17)33-4-2/h5-15H,3-4H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyGBYPUBDIMYXXAC-UHFFFAOYSA-N
XLogP4.69
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5-bis[(3-ethoxybenzoyl)amino]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

3-(3-ethoxyphenyl)-5-[(3-phenoxybenzoyl)amino]benzoic acid
CID 171782857
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid (CID 1364896) is 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid is CCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC)c3)cc(C(=O)O)c2)c1.
What is the InChIKey of 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid?
The InChIKey is GBYPUBDIMYXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-3-32-21-9-5-7-16(13-21)23(28)26-19-11-18(25(30)31)12-20(15-19)27-24(29)17-8-6-10-22(14-17)33-4-2/h5-15H,3-4H2,1-2H3,(H,26,28)(H,27,29)(H,30,31).
What are the key properties of 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid?
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid has a molecular weight of 448.48 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 1364896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).