[2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate

C22H20N2O3 — CID 2389541

IUPAC[2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-21(23-15-17-9-3-1-4-10-17)16-27-22(26)19-13-7-8-14-20(19)24-18-11-5-2-6-12-18/h1-14,24H,15-16H2,(H,23,25)
InChIKeyLVDDRPHVTBBMSH-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.90
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate

[2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate (PubChem CID 2389541) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate
PubChem CID2389541
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-21(23-15-17-9-3-1-4-10-17)16-27-22(26)19-13-7-8-14-20(19)24-18-11-5-2-6-12-18/h1-14,24H,15-16H2,(H,23,25)
InChIKeyLVDDRPHVTBBMSH-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate (CID 2389541) is [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is LVDDRPHVTBBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(23-15-17-9-3-1-4-10-17)16-27-22(26)19-13-7-8-14-20(19)24-18-11-5-2-6-12-18/h1-14,24H,15-16H2,(H,23,25).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate?
[2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 360.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 2389541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).