3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine

C25H33N3O8 — CID 176700072

About 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine

3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine (PubChem CID 176700072) has the molecular formula C25H33N3O8 and a molecular weight of 503.55 g/mol. Its IUPAC name is 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine.

Molecular Properties

• Compound Name: 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine
• PubChem CID: 176700072
• Molecular Formula: C25H33N3O8
• Molecular Weight: 503.55 g/mol
• Exact Mass: 503.23
• IUPAC Name: 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine
• SMILES: CC(C)=NO.O=C1CCC(N2Cc3cc(C#CCOCCOCCOCCO)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C22H26N2O7.C3H7NO/c25-7-9-30-11-13-31-12-10-29-8-1-2-16-3-4-18-17(14-16)15-24(22(18)28)19-5-6-20(26)23-21(19)27;1-3(2)4-5/h3-4,14,19,25H,5-13,15H2,(H,23,26,27);5H,1-2H3
• InChIKey: NDVFOARHIUQDDD-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 146.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.55
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine?

The IUPAC name of 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine (CID 176700072) is 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine.

What is the SMILES notation for 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine?

The canonical SMILES for 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine is CC(C)=NO.O=C1CCC(N2Cc3cc(C#CCOCCOCCOCCO)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine?

The InChIKey is NDVFOARHIUQDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7.C3H7NO/c25-7-9-30-11-13-31-12-10-29-8-1-2-16-3-4-18-17(14-16)15-24(22(18)28)19-5-6-20(26)23-21(19)27;1-3(2)4-5/h3-4,14,19,25H,5-13,15H2,(H,23,26,27);5H,1-2H3.

What are the key properties of 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine?

3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine has a molecular weight of 503.55 g/mol, XLogP of 0.70, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-propan-2-ylidenehydroxylamine is sourced from PubChem (CID 176700072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).