3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid

C25H24N2O6 — CID 1369230

IUPAC3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OCC)cc3)cc(C(=O)O)c2)cc1
InChIInChI=1S/C25H24N2O6/c1-3-32-21-9-5-16(6-10-21)23(28)26-19-13-18(25(30)31)14-20(15-19)27-24(29)17-7-11-22(12-8-17)33-4-2/h5-15H,3-4H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyGOLUMAZCUCLRDX-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.69
Rot. Bonds9

About 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid

3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid (PubChem CID 1369230) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
PubChem CID1369230
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OCC)cc3)cc(C(=O)O)c2)cc1
InChIInChI=1S/C25H24N2O6/c1-3-32-21-9-5-16(6-10-21)23(28)26-19-13-18(25(30)31)14-20(15-19)27-24(29)17-7-11-22(12-8-17)33-4-2/h5-15H,3-4H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyGOLUMAZCUCLRDX-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

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Related Compounds

3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
CID 107574997
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20994472
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid (CID 1369230) is 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid is CCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OCC)cc3)cc(C(=O)O)c2)cc1.
What is the InChIKey of 3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid?
The InChIKey is GOLUMAZCUCLRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-3-32-21-9-5-16(6-10-21)23(28)26-19-13-18(25(30)31)14-20(15-19)27-24(29)17-7-11-22(12-8-17)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[(4-ethoxybenzoyl)amino]benzoic acid?
3,5-bis[(4-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[(4-ethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 1369230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).