N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide

C33H36N4O5 — CID 167563259

About N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide

N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide (PubChem CID 167563259) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide
• PubChem CID: 167563259
• Molecular Formula: C33H36N4O5
• Molecular Weight: 568.67 g/mol
• Exact Mass: 568.27
• IUPAC Name: N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide
• SMILES: COC(C)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCCCO1
• InChI: InChI=1S/C33H36N4O5/c1-21(41-2)26-9-4-3-8-23(26)19-37(31(39)28-11-5-6-15-42-28)20-29(38)35-25-13-12-22-17-33(18-24(22)16-25)27-10-7-14-34-30(27)36-32(33)40/h3-4,7-10,12-14,16,21,28H,5-6,11,15,17-20H2,1-2H3,(H,35,38)(H,34,36,40)
• InChIKey: DYCISOKQXYSAPZ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide?

The IUPAC name of N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide (CID 167563259) is N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide.

What is the SMILES notation for N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide?

The canonical SMILES for N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide is COC(C)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCCCO1.

What is the InChIKey of N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide?

The InChIKey is DYCISOKQXYSAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-21(41-2)26-9-4-3-8-23(26)19-37(31(39)28-11-5-6-15-42-28)20-29(38)35-25-13-12-22-17-33(18-24(22)16-25)27-10-7-14-34-30(27)36-32(33)40/h3-4,7-10,12-14,16,21,28H,5-6,11,15,17-20H2,1-2H3,(H,35,38)(H,34,36,40).

What are the key properties of N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide?

N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide has a molecular weight of 568.67 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(1-methoxyethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 167563259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).