2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione

C15H20N2O3 — CID 106146406

IUPAC2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(C)(O)CN(C)C)C2=O
InChIInChI=1S/C15H20N2O3/c1-10-5-6-11-12(7-10)14(19)17(13(11)18)9-15(2,20)8-16(3)4/h5-7,20H,8-9H2,1-4H3
InChIKeyITJGARIEHODTHL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds4

About 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione

2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione (PubChem CID 106146406) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione
PubChem CID106146406
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(C)(O)CN(C)C)C2=O
InChIInChI=1S/C15H20N2O3/c1-10-5-6-11-12(7-10)14(19)17(13(11)18)9-15(2,20)8-16(3)4/h5-7,20H,8-9H2,1-4H3
InChIKeyITJGARIEHODTHL-UHFFFAOYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
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-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione (CID 106146406) is 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC(C)(O)CN(C)C)C2=O.
What is the InChIKey of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione?
The InChIKey is ITJGARIEHODTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-11-12(7-10)14(19)17(13(11)18)9-15(2,20)8-16(3)4/h5-7,20H,8-9H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione?
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione has a molecular weight of 276.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 106146406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).