2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione

C20H24N2O5 — CID 162264033

IUPAC2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCCCCCCO)c3C2=O)C(=O)C1
InChIInChI=1S/C20H24N2O5/c23-11-4-2-1-3-10-21-15-7-5-6-14-18(15)20(27)22(19(14)26)16-9-8-13(24)12-17(16)25/h5-7,16,21,23H,1-4,8-12H2
InChIKeyZZQNMQIQFPLBTN-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.94
Rot. Bonds8

About 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione

2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione (PubChem CID 162264033) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
PubChem CID162264033
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCCCCCCO)c3C2=O)C(=O)C1
InChIInChI=1S/C20H24N2O5/c23-11-4-2-1-3-10-21-15-7-5-6-14-18(15)20(27)22(19(14)26)16-9-8-13(24)12-17(16)25/h5-7,16,21,23H,1-4,8-12H2
InChIKeyZZQNMQIQFPLBTN-UHFFFAOYSA-N
XLogP1.94
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl carbamate
CID 175555620
2-(2,4-dioxocyclohexyl)-4-(2-methoxyanilino)isoindole-1,3-dione
CID 58307217
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
2-(2,4-dioxocyclohexyl)-4-heptylisoindole-1,3-dione
CID 157384519
2-(2,4-dioxocyclohexyl)-4-[[4-[(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
CID 149326479
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
2-(2,4-dioxocyclohexyl)-4-(2-phenoxyanilino)isoindole-1,3-dione
CID 58307183

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione?
The IUPAC name of 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione (CID 162264033) is 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione?
The canonical SMILES for 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCCCCCCO)c3C2=O)C(=O)C1.
What is the InChIKey of 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione?
The InChIKey is ZZQNMQIQFPLBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-11-4-2-1-3-10-21-15-7-5-6-14-18(15)20(27)22(19(14)26)16-9-8-13(24)12-17(16)25/h5-7,16,21,23H,1-4,8-12H2.
What are the key properties of 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione?
2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione has a molecular weight of 372.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione is sourced from PubChem (CID 162264033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).