2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C23H28ClNO2 — CID 133190650

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 133190650) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
• PubChem CID: 133190650
• Molecular Formula: C23H28ClNO2
• Molecular Weight: 385.94 g/mol
• Exact Mass: 385.18
• IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
• SMILES: Cc1cc(OC(C)C(=O)NC(C)c2ccc3c(c2)CCCC3)cc(C)c1Cl
• InChI: InChI=1S/C23H28ClNO2/c1-14-11-21(12-15(2)22(14)24)27-17(4)23(26)25-16(3)19-10-9-18-7-5-6-8-20(18)13-19/h9-13,16-17H,5-8H2,1-4H3,(H,25,26)
• InChIKey: YVDGDLMUYRRWBJ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.94
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 133190650) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

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

The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is Cc1cc(OC(C)C(=O)NC(C)c2ccc3c(c2)CCCC3)cc(C)c1Cl.

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

The InChIKey is YVDGDLMUYRRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO2/c1-14-11-21(12-15(2)22(14)24)27-17(4)23(26)25-16(3)19-10-9-18-7-5-6-8-20(18)13-19/h9-13,16-17H,5-8H2,1-4H3,(H,25,26).

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

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 385.94 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 133190650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).