N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

C23H23F3N4O5 — CID 51369305

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 51369305) has the molecular formula C23H23F3N4O5 and a molecular weight of 492.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
• PubChem CID: 51369305
• Molecular Formula: C23H23F3N4O5
• Molecular Weight: 492.45 g/mol
• Exact Mass: 492.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
• SMILES: O=C(CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H23F3N4O5/c24-23(25,26)34-17-4-1-15(2-5-17)21-28-22(35-29-21)7-9-30(10-8-22)14-20(31)27-16-3-6-18-19(13-16)33-12-11-32-18/h1-6,13H,7-12,14H2,(H,27,31)(H,28,29)
• InChIKey: LAWWOACSQDOQNX-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 93.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.45
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 51369305) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is O=C(CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?

The InChIKey is LAWWOACSQDOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5/c24-23(25,26)34-17-4-1-15(2-5-17)21-28-22(35-29-21)7-9-30(10-8-22)14-20(31)27-16-3-6-18-19(13-16)33-12-11-32-18/h1-6,13H,7-12,14H2,(H,27,31)(H,28,29).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 492.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 51369305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).