2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C29H33F4N5O5 — CID 118957982

About 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118957982) has the molecular formula C29H33F4N5O5 and a molecular weight of 607.61 g/mol. Its IUPAC name is 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• PubChem CID: 118957982
• Molecular Formula: C29H33F4N5O5
• Molecular Weight: 607.61 g/mol
• Exact Mass: 607.24
• IUPAC Name: 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)N(C)CCN(C)C)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C29H33F4N5O5/c1-18(29(31,32)33)37(16-19-5-7-21(30)8-6-19)24(39)17-38-25(40)28(43-27(38)42)12-11-20-15-22(9-10-23(20)28)34-26(41)36(4)14-13-35(2)3/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,34,41)/t18-,28+/m0/s1
• InChIKey: VJPRSSRWMOMWOT-XDBZFTIUSA-N
• XLogP: 3.95
• TPSA: 102.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.61
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118957982) is 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

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

The canonical SMILES for 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)N(C)CCN(C)C)ccc32)C1=O)C(F)(F)F.

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

The InChIKey is VJPRSSRWMOMWOT-XDBZFTIUSA-N. The full InChI is InChI=1S/C29H33F4N5O5/c1-18(29(31,32)33)37(16-19-5-7-21(30)8-6-19)24(39)17-38-25(40)28(43-27(38)42)12-11-20-15-22(9-10-23(20)28)34-26(41)36(4)14-13-35(2)3/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,34,41)/t18-,28+/m0/s1.

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

2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 607.61 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-6-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118957982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).