2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C24H29NO3 — CID 55384339

About 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 55384339) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• PubChem CID: 55384339
• Molecular Formula: C24H29NO3
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.21
• IUPAC Name: 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• SMILES: CC(=O)CCc1ccc(OCC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1
• InChI: InChI=1S/C24H29NO3/c1-17(26)7-8-19-9-13-23(14-10-19)28-16-24(27)25-18(2)21-12-11-20-5-3-4-6-22(20)15-21/h9-15,18H,3-8,16H2,1-2H3,(H,25,27)
• InChIKey: UMYDCZZXRNRFRT-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The IUPAC name of 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 55384339) is 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(=O)CCc1ccc(OCC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1.

What is the InChIKey of 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The InChIKey is UMYDCZZXRNRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-17(26)7-8-19-9-13-23(14-10-19)28-16-24(27)25-18(2)21-12-11-20-5-3-4-6-22(20)15-21/h9-15,18H,3-8,16H2,1-2H3,(H,25,27).

What are the key properties of 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 55384339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).