[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate

C24H22N2O5 — CID 3995365

IUPAC[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
SMILESCOc1cccc(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c1-30-20-14-8-13-19(15-20)26-24(29)22(17-9-4-2-5-10-17)31-21(27)16-25-23(28)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLFMIABXSAFZOTM-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.35
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate

[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate (PubChem CID 3995365) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
PubChem CID3995365
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
SMILESCOc1cccc(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c1-30-20-14-8-13-19(15-20)26-24(29)22(17-9-4-2-5-10-17)31-21(27)16-25-23(28)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLFMIABXSAFZOTM-UHFFFAOYSA-N
XLogP3.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate 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-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate (CID 3995365) is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate is COc1cccc(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The InChIKey is LFMIABXSAFZOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-30-20-14-8-13-19(15-20)26-24(29)22(17-9-4-2-5-10-17)31-21(27)16-25-23(28)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate has a molecular weight of 418.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate is sourced from PubChem (CID 3995365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).