N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C24H29FN2O4 — CID 55841750

About N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 55841750) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
• PubChem CID: 55841750
• Molecular Formula: C24H29FN2O4
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.21
• IUPAC Name: N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
• SMILES: Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NCCc1cc(F)cc2c1OCOC2
• InChI: InChI=1S/C24H29FN2O4/c1-15(2)10-21(27-23(28)20-7-5-4-6-16(20)3)24(29)26-9-8-17-11-19(25)12-18-13-30-14-31-22(17)18/h4-7,11-12,15,21H,8-10,13-14H2,1-3H3,(H,26,29)(H,27,28)
• InChIKey: HUFZAOOHFLAIKO-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?

The IUPAC name of N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 55841750) is N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

What is the SMILES notation for N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?

The canonical SMILES for N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NCCc1cc(F)cc2c1OCOC2.

What is the InChIKey of N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?

The InChIKey is HUFZAOOHFLAIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-15(2)10-21(27-23(28)20-7-5-4-6-16(20)3)24(29)26-9-8-17-11-19(25)12-18-13-30-14-31-22(17)18/h4-7,11-12,15,21H,8-10,13-14H2,1-3H3,(H,26,29)(H,27,28).

What are the key properties of N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?

N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 428.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55841750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).