N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide

C28H26F4N4O6 — CID 118958126

About N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide (PubChem CID 118958126) has the molecular formula C28H26F4N4O6 and a molecular weight of 590.53 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide
• PubChem CID: 118958126
• Molecular Formula: C28H26F4N4O6
• Molecular Weight: 590.53 g/mol
• Exact Mass: 590.18
• IUPAC Name: N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)C(=O)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C2CC2)C(F)(F)F)C1=O
• InChI: InChI=1S/C28H26F4N4O6/c1-33-25(40)34-18-8-9-20-19(12-18)21(37)10-11-27(20)24(39)36(26(41)42-27)14-22(38)35(13-15-2-6-17(29)7-3-15)23(16-4-5-16)28(30,31)32/h2-3,6-9,12,16,23H,4-5,10-11,13-14H2,1H3,(H2,33,34,40)/t23-,27?/m0/s1
• InChIKey: OQCURHJUUFHRRZ-DCCUJTHKSA-N
• XLogP: 4.10
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.53
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide?

The IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide (CID 118958126) is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide.

What is the SMILES notation for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide?

The canonical SMILES for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide is CNC(=O)Nc1ccc2c(c1)C(=O)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C2CC2)C(F)(F)F)C1=O.

What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide?

The InChIKey is OQCURHJUUFHRRZ-DCCUJTHKSA-N. The full InChI is InChI=1S/C28H26F4N4O6/c1-33-25(40)34-18-8-9-20-19(12-18)21(37)10-11-27(20)24(39)36(26(41)42-27)14-22(38)35(13-15-2-6-17(29)7-3-15)23(16-4-5-16)28(30,31)32/h2-3,6-9,12,16,23H,4-5,10-11,13-14H2,1H3,(H2,33,34,40)/t23-,27?/m0/s1.

What are the key properties of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide?

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide has a molecular weight of 590.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6'-(methylcarbamoylamino)-2,4,4'-trioxospiro[1,3-oxazolidine-5,1'-2,3-dihydronaphthalene]-3-yl]acetamide is sourced from PubChem (CID 118958126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).