2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide

C22H22N2O4 — CID 1075392

About 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide

2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide (PubChem CID 1075392) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide
• PubChem CID: 1075392
• Molecular Formula: C22H22N2O4
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.16
• IUPAC Name: 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide
• SMILES: NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
• InChI: InChI=1S/C22H22N2O4/c23-20(26)13-24-18-8-4-3-7-17(18)22(28,21(24)27)12-19(25)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11,28H,1-2,5-6,12-13H2,(H2,23,26)/t22-/m1/s1
• InChIKey: NZELRDWZKMZQIQ-JOCHJYFZSA-N
• XLogP: 1.86
• TPSA: 100.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide?

The IUPAC name of 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide (CID 1075392) is 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide.

What is the SMILES notation for 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide?

The canonical SMILES for 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide is NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21.

What is the InChIKey of 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide?

The InChIKey is NZELRDWZKMZQIQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N2O4/c23-20(26)13-24-18-8-4-3-7-17(18)22(28,21(24)27)12-19(25)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11,28H,1-2,5-6,12-13H2,(H2,23,26)/t22-/m1/s1.

What are the key properties of 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide?

2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide is sourced from PubChem (CID 1075392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).