2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione

C22H24N2O3 — CID 75470313

IUPAC2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCC(NCC(O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-20(15-7-2-1-3-8-15)14-23-16-9-6-10-17(13-16)24-21(26)18-11-4-5-12-19(18)22(24)27/h1-5,7-8,11-12,16-17,20,23,25H,6,9-10,13-14H2
InChIKeyRFXNQOSKFKQADW-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.92
Rot. Bonds5

About 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione

2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione (PubChem CID 75470313) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione
PubChem CID75470313
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCC(NCC(O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-20(15-7-2-1-3-8-15)14-23-16-9-6-10-17(13-16)24-21(26)18-11-4-5-12-19(18)22(24)27/h1-5,7-8,11-12,16-17,20,23,25H,6,9-10,13-14H2
InChIKeyRFXNQOSKFKQADW-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione (CID 75470313) is 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCCC(NCC(O)c2ccccc2)C1.
What is the InChIKey of 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione?
The InChIKey is RFXNQOSKFKQADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-20(15-7-2-1-3-8-15)14-23-16-9-6-10-17(13-16)24-21(26)18-11-4-5-12-19(18)22(24)27/h1-5,7-8,11-12,16-17,20,23,25H,6,9-10,13-14H2.
What are the key properties of 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione?
2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione has a molecular weight of 364.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 75470313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).