[2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate

C23H22N2O3 — CID 2413255

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-25(2)19-12-8-11-18(15-19)23(27)28-16-22(26)24-21-14-7-6-13-20(21)17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyBYODQVDXQYGARU-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.22
Rot. Bonds6

About [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate

[2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate (PubChem CID 2413255) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate
PubChem CID2413255
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-25(2)19-12-8-11-18(15-19)23(27)28-16-22(26)24-21-14-7-6-13-20(21)17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyBYODQVDXQYGARU-UHFFFAOYSA-N
XLogP4.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)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 [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate (CID 2413255) is [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate?
The InChIKey is BYODQVDXQYGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-25(2)19-12-8-11-18(15-19)23(27)28-16-22(26)24-21-14-7-6-13-20(21)17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,24,26).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate?
[2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate has a molecular weight of 374.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 2413255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).