2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione

C17H20N2O4 — CID 2997609

IUPAC2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione
SMILESCC(C)C(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H20N2O4/c1-11(2)14(17(22)18-7-9-23-10-8-18)19-15(20)12-5-3-4-6-13(12)16(19)21/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZEASYPCDBWFIAM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.17
Rot. Bonds3

About 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione

2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione (PubChem CID 2997609) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione
PubChem CID2997609
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione
SMILESCC(C)C(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H20N2O4/c1-11(2)14(17(22)18-7-9-23-10-8-18)19-15(20)12-5-3-4-6-13(12)16(19)21/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZEASYPCDBWFIAM-UHFFFAOYSA-N
XLogP1.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
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-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione (CID 2997609) is 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione is CC(C)C(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione?
The InChIKey is ZEASYPCDBWFIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)14(17(22)18-7-9-23-10-8-18)19-15(20)12-5-3-4-6-13(12)16(19)21/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione?
2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2997609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).