2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide

C21H25NO3 — CID 42899623

About 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide

2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 42899623) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
• PubChem CID: 42899623
• Molecular Formula: C21H25NO3
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.18
• IUPAC Name: 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccccc1NC(=O)COc1cccc2c1CCCC2O
• InChI: InChI=1S/C21H25NO3/c1-14(2)15-7-3-4-10-18(15)22-21(24)13-25-20-12-6-8-16-17(20)9-5-11-19(16)23/h3-4,6-8,10,12,14,19,23H,5,9,11,13H2,1-2H3,(H,22,24)
• InChIKey: NQXJHZWQZPWDEZ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide (CID 42899623) is 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)COc1cccc2c1CCCC2O.

What is the InChIKey of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide?

The InChIKey is NQXJHZWQZPWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(2)15-7-3-4-10-18(15)22-21(24)13-25-20-12-6-8-16-17(20)9-5-11-19(16)23/h3-4,6-8,10,12,14,19,23H,5,9,11,13H2,1-2H3,(H,22,24).

What are the key properties of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide?

2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 42899623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).