2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione

C15H20N2O3 — CID 79390707

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione
SMILESCCN(CN1C(=O)c2ccccc2C1=O)CC(C)(C)O
InChIInChI=1S/C15H20N2O3/c1-4-16(9-15(2,3)20)10-17-13(18)11-7-5-6-8-12(11)14(17)19/h5-8,20H,4,9-10H2,1-3H3
InChIKeyBYZMJHSEMKVTGY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.33
Rot. Bonds5

About 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione

2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione (PubChem CID 79390707) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione
PubChem CID79390707
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione
SMILESCCN(CN1C(=O)c2ccccc2C1=O)CC(C)(C)O
InChIInChI=1S/C15H20N2O3/c1-4-16(9-15(2,3)20)10-17-13(18)11-7-5-6-8-12(11)14(17)19/h5-8,20H,4,9-10H2,1-3H3
InChIKeyBYZMJHSEMKVTGY-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione
CID 167958699
2-[[decyl-[(1,3-dioxoisoindol-2-yl)methyl]amino]methyl]isoindole-1,3-dione
CID 154096403
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one
CID 79379451
2-(6,6-dimethyl-5,7-dioxononyl)isoindole-1,3-dione
CID 167549198
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
3-[(1,3-dioxoisoindol-2-yl)methyl-methylamino]propanoic acid
CID 60987323
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoic acid
CID 834726

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione (CID 79390707) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione is CCN(CN1C(=O)c2ccccc2C1=O)CC(C)(C)O.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione?
The InChIKey is BYZMJHSEMKVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-16(9-15(2,3)20)10-17-13(18)11-7-5-6-8-12(11)14(17)19/h5-8,20H,4,9-10H2,1-3H3.
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione?
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 276.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 79390707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).