2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C27H29F3N4O5 — CID 118958413

About 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 118958413) has the molecular formula C27H29F3N4O5 and a molecular weight of 546.55 g/mol. Its IUPAC name is 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
• PubChem CID: 118958413
• Molecular Formula: C27H29F3N4O5
• Molecular Weight: 546.55 g/mol
• Exact Mass: 546.21
• IUPAC Name: 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2C(F)(F)F)CC(C)C)C1=O
• InChI: InChI=1S/C27H29F3N4O5/c1-16(2)13-33(14-18-6-4-5-7-21(18)27(28,29)30)22(35)15-34-23(36)26(39-25(34)38)11-10-17-12-19(8-9-20(17)26)32-24(37)31-3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H2,31,32,37)/t26-/m1/s1
• InChIKey: UZFYEQRTRUZVPH-AREMUKBSSA-N
• XLogP: 4.26
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?

The IUPAC name of 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 118958413) is 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?

The canonical SMILES for 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2C(F)(F)F)CC(C)C)C1=O.

What is the InChIKey of 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?

The InChIKey is UZFYEQRTRUZVPH-AREMUKBSSA-N. The full InChI is InChI=1S/C27H29F3N4O5/c1-16(2)13-33(14-18-6-4-5-7-21(18)27(28,29)30)22(35)15-34-23(36)26(39-25(34)38)11-10-17-12-19(8-9-20(17)26)32-24(37)31-3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H2,31,32,37)/t26-/m1/s1.

What are the key properties of 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?

2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 546.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 118958413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).