2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione

C39H37N3O7 — CID 134582459

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H37N3O7/c43-28-10-15-31-26(22-28)8-13-30(24-4-2-1-3-5-24)36(31)25-6-11-29(12-7-25)49-21-20-48-19-18-40-27-9-14-32-33(23-27)39(47)42(38(32)46)34-16-17-35(44)41-37(34)45/h1-7,9-12,14-15,22-23,30,34,36,40,43H,8,13,16-21H2,(H,41,44,45)/t30-,34?,36+/m1/s1
InChIKeyHLMPDSDRPSOSLP-TWONZYQFSA-N
MW659.74 g/mol
LogP5.16
Rot. Bonds11

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 134582459) has the molecular formula C39H37N3O7 and a molecular weight of 659.74 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione
PubChem CID134582459
Molecular FormulaC39H37N3O7
Molecular Weight659.74 g/mol
Exact Mass659.26
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H37N3O7/c43-28-10-15-31-26(22-28)8-13-30(24-4-2-1-3-5-24)36(31)25-6-11-29(12-7-25)49-21-20-48-19-18-40-27-9-14-32-33(23-27)39(47)42(38(32)46)34-16-17-35(44)41-37(34)45/h1-7,9-12,14-15,22-23,30,34,36,40,43H,8,13,16-21H2,(H,41,44,45)/t30-,34?,36+/m1/s1
InChIKeyHLMPDSDRPSOSLP-TWONZYQFSA-N
XLogP5.16
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.74
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 134582459) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The InChIKey is HLMPDSDRPSOSLP-TWONZYQFSA-N. The full InChI is InChI=1S/C39H37N3O7/c43-28-10-15-31-26(22-28)8-13-30(24-4-2-1-3-5-24)36(31)25-6-11-29(12-7-25)49-21-20-48-19-18-40-27-9-14-32-33(23-27)39(47)42(38(32)46)34-16-17-35(44)41-37(34)45/h1-7,9-12,14-15,22-23,30,34,36,40,43H,8,13,16-21H2,(H,41,44,45)/t30-,34?,36+/m1/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 659.74 g/mol, XLogP of 5.16, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 134582459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).