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

C19H20N2O3 — CID 18087450

IUPAC2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione
SMILESCN(CCOc1ccccc1)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H20N2O3/c1-20(13-14-24-15-7-3-2-4-8-15)11-12-21-18(22)16-9-5-6-10-17(16)19(21)23/h2-10H,11-14H2,1H3
InChIKeyXNFMXZNYVJOLDL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.29
Rot. Bonds7

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

2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione (PubChem CID 18087450) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione
PubChem CID18087450
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione
SMILESCN(CCOc1ccccc1)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H20N2O3/c1-20(13-14-24-15-7-3-2-4-8-15)11-12-21-18(22)16-9-5-6-10-17(16)19(21)23/h2-10H,11-14H2,1H3
InChIKeyXNFMXZNYVJOLDL-UHFFFAOYSA-N
XLogP2.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
2-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione
CID 9259670
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 30279170
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 69293402
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindole-1,3-dione
CID 10544771
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione (CID 18087450) is 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione is CN(CCOc1ccccc1)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is XNFMXZNYVJOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20(13-14-24-15-7-3-2-4-8-15)11-12-21-18(22)16-9-5-6-10-17(16)19(21)23/h2-10H,11-14H2,1H3.
What are the key properties of 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione?
2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 18087450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).