[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C26H28N2O4 — CID 24685930

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1NCCO
InChIInChI=1S/C26H28N2O4/c29-18-16-27-24-14-8-7-13-23(24)26(31)32-20-25(30)28(19-22-11-5-2-6-12-22)17-15-21-9-3-1-4-10-21/h1-14,27,29H,15-20H2
InChIKeyHZMWMGUHLZAIDO-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.52
Rot. Bonds11

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 24685930) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID24685930
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1NCCO
InChIInChI=1S/C26H28N2O4/c29-18-16-27-24-14-8-7-13-23(24)26(31)32-20-25(30)28(19-22-11-5-2-6-12-22)17-15-21-9-3-1-4-10-21/h1-14,27,29H,15-20H2
InChIKeyHZMWMGUHLZAIDO-UHFFFAOYSA-N
XLogP3.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 24685930) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1NCCO.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is HZMWMGUHLZAIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-18-16-27-24-14-8-7-13-23(24)26(31)32-20-25(30)28(19-22-11-5-2-6-12-22)17-15-21-9-3-1-4-10-21/h1-14,27,29H,15-20H2.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 432.52 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 24685930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).