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

C18H20N2O3 — CID 670729

IUPACethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-4-23-18(22)14-6-5-7-15(12-14)19-17(21)13-8-10-16(11-9-13)20(2)3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyYVUSAXKSOPPPJJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds5

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

ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate (PubChem CID 670729) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate
PubChem CID670729
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-4-23-18(22)14-6-5-7-15(12-14)19-17(21)13-8-10-16(11-9-13)20(2)3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyYVUSAXKSOPPPJJ-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[4-(dimethylamino)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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate (CID 670729) is ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate?
The InChIKey is YVUSAXKSOPPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-23-18(22)14-6-5-7-15(12-14)19-17(21)13-8-10-16(11-9-13)20(2)3/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate?
ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(dimethylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 670729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).