[2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate

C19H19NO4 — CID 2434176

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate
SMILESCC(C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13(2)20-17(21)12-24-19(23)16-11-7-6-10-15(16)18(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyWTMCJVGJMQRSOJ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.60
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate (PubChem CID 2434176) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate
PubChem CID2434176
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate
SMILESCC(C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13(2)20-17(21)12-24-19(23)16-11-7-6-10-15(16)18(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyWTMCJVGJMQRSOJ-UHFFFAOYSA-N
XLogP2.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate (CID 2434176) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate is CC(C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate?
The InChIKey is WTMCJVGJMQRSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(2)20-17(21)12-24-19(23)16-11-7-6-10-15(16)18(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate has a molecular weight of 325.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2434176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).