2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide

C25H26FN3O4 — CID 118957280

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

2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 118957280) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
• PubChem CID: 118957280
• Molecular Formula: C25H26FN3O4
• Molecular Weight: 451.50 g/mol
• Exact Mass: 451.19
• IUPAC Name: 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
• SMILES: C[C@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O
• InChI: InChI=1S/C25H26FN3O4/c1-15(17-4-5-17)28(13-16-2-6-19(26)7-3-16)22(30)14-29-23(31)25(33-24(29)32)11-10-18-12-20(27)8-9-21(18)25/h2-3,6-9,12,15,17H,4-5,10-11,13-14,27H2,1H3/t15-,25-/m1/s1
• InChIKey: VJEOPBJNOUVTFQ-SGANQWHYSA-N
• XLogP: 3.36
• TPSA: 92.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.50
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 118957280) is 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide.

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

The canonical SMILES for 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide is C[C@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O.

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

The InChIKey is VJEOPBJNOUVTFQ-SGANQWHYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-15(17-4-5-17)28(13-16-2-6-19(26)7-3-16)22(30)14-29-23(31)25(33-24(29)32)11-10-18-12-20(27)8-9-21(18)25/h2-3,6-9,12,15,17H,4-5,10-11,13-14,27H2,1H3/t15-,25-/m1/s1.

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

2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 451.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 118957280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).