[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate

C23H25NO5 — CID 8534450

About [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate (PubChem CID 8534450) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate.

Molecular Properties

• Compound Name: [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
• PubChem CID: 8534450
• Molecular Formula: C23H25NO5
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.17
• IUPAC Name: [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
• SMILES: COc1ccc(C(C)=O)cc1CC(=O)OCC(=O)N[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C23H25NO5/c1-15(25)17-10-11-21(28-2)18(12-17)13-23(27)29-14-22(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,24,26)/t20-/m0/s1
• InChIKey: PEQBMIHFKLZHND-FQEVSTJZSA-N
• XLogP: 3.18
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?

The IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate (CID 8534450) is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate.

What is the SMILES notation for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?

The canonical SMILES for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate is COc1ccc(C(C)=O)cc1CC(=O)OCC(=O)N[C@H]1CCCc2ccccc21.

What is the InChIKey of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?

The InChIKey is PEQBMIHFKLZHND-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25NO5/c1-15(25)17-10-11-21(28-2)18(12-17)13-23(27)29-14-22(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,24,26)/t20-/m0/s1.

What are the key properties of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate has a molecular weight of 395.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 8534450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).