2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide

C34H34F2N4O5 — CID 118328078

About 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide

2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide (PubChem CID 118328078) has the molecular formula C34H34F2N4O5 and a molecular weight of 616.67 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide
• PubChem CID: 118328078
• Molecular Formula: C34H34F2N4O5
• Molecular Weight: 616.67 g/mol
• Exact Mass: 616.25
• IUPAC Name: 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide
• SMILES: CCc1cccc2c1NC(=O)C21Cc2ccc(NC(=O)CN3C(=O)C4(COCCOC4)NCC3c3cc(F)cc(F)c3)cc2C1
• InChI: InChI=1S/C34H34F2N4O5/c1-2-20-4-3-5-27-30(20)39-31(42)33(27)14-21-6-7-26(12-23(21)15-33)38-29(41)17-40-28(22-10-24(35)13-25(36)11-22)16-37-34(32(40)43)18-44-8-9-45-19-34/h3-7,10-13,28,37H,2,8-9,14-19H2,1H3,(H,38,41)(H,39,42)
• InChIKey: NPLQRUCPZDZGTB-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.67
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide?

The IUPAC name of 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide (CID 118328078) is 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide.

What is the SMILES notation for 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide?

The canonical SMILES for 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide is CCc1cccc2c1NC(=O)C21Cc2ccc(NC(=O)CN3C(=O)C4(COCCOC4)NCC3c3cc(F)cc(F)c3)cc2C1.

What is the InChIKey of 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide?

The InChIKey is NPLQRUCPZDZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F2N4O5/c1-2-20-4-3-5-27-30(20)39-31(42)33(27)14-21-6-7-26(12-23(21)15-33)38-29(41)17-40-28(22-10-24(35)13-25(36)11-22)16-37-34(32(40)43)18-44-8-9-45-19-34/h3-7,10-13,28,37H,2,8-9,14-19H2,1H3,(H,38,41)(H,39,42).

What are the key properties of 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide?

2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide has a molecular weight of 616.67 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide is sourced from PubChem (CID 118328078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).