N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C29H32F4N4O6 — CID 135204738

About N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 135204738) has the molecular formula C29H32F4N4O6 and a molecular weight of 608.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• PubChem CID: 135204738
• Molecular Formula: C29H32F4N4O6
• Molecular Weight: 608.59 g/mol
• Exact Mass: 608.23
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• SMILES: CC(C)[C@H](CO)NC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O
• InChI: InChI=1S/C29H32F4N4O6/c1-16(2)23(15-38)35-26(41)34-21-8-9-22-19(12-21)10-11-28(22)25(40)37(27(42)43-28)14-24(39)36(17(3)29(31,32)33)13-18-4-6-20(30)7-5-18/h4-9,12,16-17,23,38H,10-11,13-15H2,1-3H3,(H2,34,35,41)/t17-,23-,28?/m0/s1
• InChIKey: RMLIPUYIMJTRAL-QAXIVUAVSA-N
• XLogP: 4.06
• TPSA: 128.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.59
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 135204738) is N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is CC(C)[C@H](CO)NC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The InChIKey is RMLIPUYIMJTRAL-QAXIVUAVSA-N. The full InChI is InChI=1S/C29H32F4N4O6/c1-16(2)23(15-38)35-26(41)34-21-8-9-22-19(12-21)10-11-28(22)25(40)37(27(42)43-28)14-24(39)36(17(3)29(31,32)33)13-18-4-6-20(30)7-5-18/h4-9,12,16-17,23,38H,10-11,13-15H2,1-3H3,(H2,34,35,41)/t17-,23-,28?/m0/s1.

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 608.59 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[6-[[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 135204738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).