2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde

C25H39N3O9 — CID 131999638

IUPAC2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
SMILESO=Cc1cccc(NCCOCCOCCOCCOCCOCCO)c1CNC1CCC(=O)NC1=O
InChIInChI=1S/C25H39N3O9/c29-7-9-34-11-13-36-15-17-37-16-14-35-12-10-33-8-6-26-22-3-1-2-20(19-30)21(22)18-27-23-4-5-24(31)28-25(23)32/h1-3,19,23,26-27,29H,4-18H2,(H,28,31,32)
InChIKeyDQUXURQOGHXBRE-UHFFFAOYSA-N
MW525.60 g/mol
LogP-0.12
Rot. Bonds22

About 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde

2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde (PubChem CID 131999638) has the molecular formula C25H39N3O9 and a molecular weight of 525.60 g/mol. Its IUPAC name is 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde.

Molecular Properties

Compound Name2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
PubChem CID131999638
Molecular FormulaC25H39N3O9
Molecular Weight525.60 g/mol
Exact Mass525.27
IUPAC Name2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
SMILESO=Cc1cccc(NCCOCCOCCOCCOCCOCCO)c1CNC1CCC(=O)NC1=O
InChIInChI=1S/C25H39N3O9/c29-7-9-34-11-13-36-15-17-37-16-14-35-12-10-33-8-6-26-22-3-1-2-20(19-30)21(22)18-27-23-4-5-24(31)28-25(23)32/h1-3,19,23,26-27,29H,4-18H2,(H,28,31,32)
InChIKeyDQUXURQOGHXBRE-UHFFFAOYSA-N
XLogP-0.12
TPSA153.68 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
The IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde (CID 131999638) is 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde.
What is the SMILES notation for 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
The canonical SMILES for 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde is O=Cc1cccc(NCCOCCOCCOCCOCCOCCO)c1CNC1CCC(=O)NC1=O.
What is the InChIKey of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
The InChIKey is DQUXURQOGHXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O9/c29-7-9-34-11-13-36-15-17-37-16-14-35-12-10-33-8-6-26-22-3-1-2-20(19-30)21(22)18-27-23-4-5-24(31)28-25(23)32/h1-3,19,23,26-27,29H,4-18H2,(H,28,31,32).
What are the key properties of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde has a molecular weight of 525.60 g/mol, XLogP of -0.12, 22 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde is sourced from PubChem (CID 131999638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).