ethyl 4-[(4-benzamidobenzoyl)amino]benzoate

C23H20N2O4 — CID 3090235

IUPACethyl 4-[(4-benzamidobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-29-23(28)18-10-14-20(15-11-18)25-22(27)17-8-12-19(13-9-17)24-21(26)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyPTVMYFQDWNAMRT-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.37
Rot. Bonds6

About ethyl 4-[(4-benzamidobenzoyl)amino]benzoate

ethyl 4-[(4-benzamidobenzoyl)amino]benzoate (PubChem CID 3090235) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 4-[(4-benzamidobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-benzamidobenzoyl)amino]benzoate
PubChem CID3090235
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Nameethyl 4-[(4-benzamidobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-29-23(28)18-10-14-20(15-11-18)25-22(27)17-8-12-19(13-9-17)24-21(26)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyPTVMYFQDWNAMRT-UHFFFAOYSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-benzamidobenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-benzamidobenzoyl)amino]benzoate (CID 3090235) is ethyl 4-[(4-benzamidobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-benzamidobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-benzamidobenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-benzamidobenzoyl)amino]benzoate?
The InChIKey is PTVMYFQDWNAMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-29-23(28)18-10-14-20(15-11-18)25-22(27)17-8-12-19(13-9-17)24-21(26)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of ethyl 4-[(4-benzamidobenzoyl)amino]benzoate?
ethyl 4-[(4-benzamidobenzoyl)amino]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-benzamidobenzoyl)amino]benzoate is sourced from PubChem (CID 3090235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).