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

C28H27FN4O5 — CID 134327296

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

2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide (PubChem CID 134327296) has the molecular formula C28H27FN4O5 and a molecular weight of 518.55 g/mol. Its IUPAC name is 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
• PubChem CID: 134327296
• Molecular Formula: C28H27FN4O5
• Molecular Weight: 518.55 g/mol
• Exact Mass: 518.20
• IUPAC Name: 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
• SMILES: CC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)CC#N)ccc32)C1=O
• InChI: InChI=1S/C28H27FN4O5/c1-17(19-4-5-19)32(15-18-2-6-21(29)7-3-18)25(35)16-33-26(36)28(38-27(33)37)12-10-20-14-22(8-9-23(20)28)31-24(34)11-13-30/h2-3,6-9,14,17,19H,4-5,10-12,15-16H2,1H3,(H,31,34)
• InChIKey: GWCFNUKJLAYBJT-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 119.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.55
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide (CID 134327296) is 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide.

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

The canonical SMILES for 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide is CC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)CC#N)ccc32)C1=O.

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

The InChIKey is GWCFNUKJLAYBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O5/c1-17(19-4-5-19)32(15-18-2-6-21(29)7-3-18)25(35)16-33-26(36)28(38-27(33)37)12-10-20-14-22(8-9-23(20)28)31-24(34)11-13-30/h2-3,6-9,14,17,19H,4-5,10-12,15-16H2,1H3,(H,31,34).

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

2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide has a molecular weight of 518.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide is sourced from PubChem (CID 134327296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).