[2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate

C22H19N3O4 — CID 2391321

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C22H19N3O4/c23-21(27)15-10-12-17(13-11-15)25-20(26)14-29-22(28)18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13,24H,14H2,(H2,23,27)(H,25,26)
InChIKeyHCAIWMMROPIBGM-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.32
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate (PubChem CID 2391321) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate
PubChem CID2391321
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C22H19N3O4/c23-21(27)15-10-12-17(13-11-15)25-20(26)14-29-22(28)18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13,24H,14H2,(H2,23,27)(H,25,26)
InChIKeyHCAIWMMROPIBGM-UHFFFAOYSA-N
XLogP3.32
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate 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-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate (CID 2391321) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate is NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is HCAIWMMROPIBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c23-21(27)15-10-12-17(13-11-15)25-20(26)14-29-22(28)18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13,24H,14H2,(H2,23,27)(H,25,26).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 389.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 2391321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).