ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate

C20H24N2O3 — CID 5194656

IUPACethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-4-22(5-2)18-12-10-15(11-13-18)19(23)21-17-9-7-8-16(14-17)20(24)25-6-3/h7-14H,4-6H2,1-3H3,(H,21,23)
InChIKeyJFRLIYNEVNIVFZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.96
Rot. Bonds7

About ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate

ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate (PubChem CID 5194656) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
PubChem CID5194656
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-4-22(5-2)18-12-10-15(11-13-18)19(23)21-17-9-7-8-16(14-17)20(24)25-6-3/h7-14H,4-6H2,1-3H3,(H,21,23)
InChIKeyJFRLIYNEVNIVFZ-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[4-(diethylamino)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

ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
ethyl 3-acetamidobenzoate
CID 700589
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109238980
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate (CID 5194656) is ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)CC)cc2)c1.
What is the InChIKey of ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate?
The InChIKey is JFRLIYNEVNIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-22(5-2)18-12-10-15(11-13-18)19(23)21-17-9-7-8-16(14-17)20(24)25-6-3/h7-14H,4-6H2,1-3H3,(H,21,23).
What are the key properties of ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate?
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 5194656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).