1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide

C35H42N4O6 — CID 146524452

About 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide

1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide (PubChem CID 146524452) has the molecular formula C35H42N4O6 and a molecular weight of 614.74 g/mol. Its IUPAC name is 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide.

Molecular Properties

• Compound Name: 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide
• PubChem CID: 146524452
• Molecular Formula: C35H42N4O6
• Molecular Weight: 614.74 g/mol
• Exact Mass: 614.31
• IUPAC Name: 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide
• SMILES: NC(=O)c1ccc2c(c1)N(C(C(=O)Nc1ccc3c(c1)NC(=O)C31CCOCC1)C1CCCCCCC1)C(=O)C21CCOCC1
• InChI: InChI=1S/C35H42N4O6/c36-30(40)23-8-10-26-28(20-23)39(33(43)35(26)14-18-45-19-15-35)29(22-6-4-2-1-3-5-7-22)31(41)37-24-9-11-25-27(21-24)38-32(42)34(25)12-16-44-17-13-34/h8-11,20-22,29H,1-7,12-19H2,(H2,36,40)(H,37,41)(H,38,42)
• InChIKey: JZDFCRONJMBGML-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 140.06 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	614.74
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide?

The IUPAC name of 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide (CID 146524452) is 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide.

What is the SMILES notation for 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide?

The canonical SMILES for 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide is NC(=O)c1ccc2c(c1)N(C(C(=O)Nc1ccc3c(c1)NC(=O)C31CCOCC1)C1CCCCCCC1)C(=O)C21CCOCC1.

What is the InChIKey of 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide?

The InChIKey is JZDFCRONJMBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O6/c36-30(40)23-8-10-26-28(20-23)39(33(43)35(26)14-18-45-19-15-35)29(22-6-4-2-1-3-5-7-22)31(41)37-24-9-11-25-27(21-24)38-32(42)34(25)12-16-44-17-13-34/h8-11,20-22,29H,1-7,12-19H2,(H2,36,40)(H,37,41)(H,38,42).

What are the key properties of 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide?

1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide has a molecular weight of 614.74 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide is sourced from PubChem (CID 146524452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).