2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione

C17H20N2O4 — CID 46674460

IUPAC2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1
InChIInChI=1S/C17H20N2O4/c1-12-11-18(9-10-23-12)15(20)7-4-8-19-16(21)13-5-2-3-6-14(13)17(19)22/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyPWQXCQUWYPERNH-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione

2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione (PubChem CID 46674460) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
PubChem CID46674460
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1
InChIInChI=1S/C17H20N2O4/c1-12-11-18(9-10-23-12)15(20)7-4-8-19-16(21)13-5-2-3-6-14(13)17(19)22/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyPWQXCQUWYPERNH-UHFFFAOYSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]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

3-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 30035276
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
2-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-oxobutyl]isoindole-1,3-dione
CID 8803181
2-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110294886
2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
CID 97307678
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110867879
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 42901734
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 51293162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione (CID 46674460) is 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione is CC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1.
What is the InChIKey of 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
The InChIKey is PWQXCQUWYPERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-11-18(9-10-23-12)15(20)7-4-8-19-16(21)13-5-2-3-6-14(13)17(19)22/h2-3,5-6,12H,4,7-11H2,1H3.
What are the key properties of 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione is sourced from PubChem (CID 46674460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).