12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide

C40H47F4N3O7 — CID 166938635

About 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide

12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide (PubChem CID 166938635) has the molecular formula C40H47F4N3O7 and a molecular weight of 757.82 g/mol. Its IUPAC name is 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide.

Molecular Properties

• Compound Name: 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide
• PubChem CID: 166938635
• Molecular Formula: C40H47F4N3O7
• Molecular Weight: 757.82 g/mol
• Exact Mass: 757.34
• IUPAC Name: 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)CCC(=O)CCCCCCCC(=O)C4CCCC4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C40H47F4N3O7/c1-26(40(42,43)44)46(24-27-13-15-30(41)16-14-27)36(51)25-47-37(52)39(54-38(47)53)22-21-29-23-31(17-19-33(29)39)45-35(50)20-18-32(48)11-5-3-2-4-6-12-34(49)28-9-7-8-10-28/h13-17,19,23,26,28H,2-12,18,20-22,24-25H2,1H3,(H,45,50)/t26-,39?/m0/s1
• InChIKey: SALBNINRHAFPDB-APBQMGQJSA-N
• XLogP: 7.70
• TPSA: 130.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.82
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide?

The IUPAC name of 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide (CID 166938635) is 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide.

What is the SMILES notation for 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide?

The canonical SMILES for 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)CCC(=O)CCCCCCCC(=O)C4CCCC4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide?

The InChIKey is SALBNINRHAFPDB-APBQMGQJSA-N. The full InChI is InChI=1S/C40H47F4N3O7/c1-26(40(42,43)44)46(24-27-13-15-30(41)16-14-27)36(51)25-47-37(52)39(54-38(47)53)22-21-29-23-31(17-19-33(29)39)45-35(50)20-18-32(48)11-5-3-2-4-6-12-34(49)28-9-7-8-10-28/h13-17,19,23,26,28H,2-12,18,20-22,24-25H2,1H3,(H,45,50)/t26-,39?/m0/s1.

What are the key properties of 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide?

12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide has a molecular weight of 757.82 g/mol, XLogP of 7.70, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-cyclopentyl-N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-4,12-dioxododecanamide is sourced from PubChem (CID 166938635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).