[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate

C₂₄H₂₇NO₅ — CID 7213084

About [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate (PubChem CID 7213084) has the molecular formula C₂₄H₂₇NO₅ and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate.

Molecular Properties

• Compound Name: [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
• PubChem CID: 7213084
• Molecular Formula: C₂₄H₂₇NO₅
• Molecular Weight: 409.48 g/mol
• Exact Mass: 409.19
• IUPAC Name: [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
• SMILES: CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CCC(=O)c1cc(C)ccc1C
• InChI: InChI=1S/C24H27NO5/c1-16-9-10-17(2)20(13-16)22(27)11-12-24(29)30-15-23(28)25-21(18(3)26)14-19-7-5-4-6-8-19/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,25,28)/t21-/m1/s1
• InChIKey: RJUOJEYXLWBNIT-OAQYLSRUSA-N
• XLogP: 3.13
• TPSA: 89.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.48
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate?

The IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate (CID 7213084) is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate.

What is the SMILES notation for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate?

The canonical SMILES for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate is CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CCC(=O)c1cc(C)ccc1C.

What is the InChIKey of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate?

The InChIKey is RJUOJEYXLWBNIT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27NO5/c1-16-9-10-17(2)20(13-16)22(27)11-12-24(29)30-15-23(28)25-21(18(3)26)14-19-7-5-4-6-8-19/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,25,28)/t21-/m1/s1.

What are the key properties of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate?

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate has a molecular weight of 409.48 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate is sourced from PubChem (CID 7213084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7213084 — identifiers, structure, computed properties (public domain)

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