[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate

C25H23NO4 — CID 4017767

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-11-13-20(14-12-18)24(28)21-9-5-6-10-22(21)25(29)30-17-23(27)26-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,27)
InChIKeyIDWMPCPEBAGXHT-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.74
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 4017767) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID4017767
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-11-13-20(14-12-18)24(28)21-9-5-6-10-22(21)25(29)30-17-23(27)26-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,27)
InChIKeyIDWMPCPEBAGXHT-UHFFFAOYSA-N
XLogP3.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate (CID 4017767) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is IDWMPCPEBAGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-18-11-13-20(14-12-18)24(28)21-9-5-6-10-22(21)25(29)30-17-23(27)26-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,27).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 401.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 4017767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).