4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione

C20H20N2O3 — CID 11573586

IUPAC4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione
SMILESCN(C)CCOc1ccc(/C=C/c2cccc3c2C(=O)NC3=O)cc1
InChIInChI=1S/C20H20N2O3/c1-22(2)12-13-25-16-10-7-14(8-11-16)6-9-15-4-3-5-17-18(15)20(24)21-19(17)23/h3-11H,12-13H2,1-2H3,(H,21,23,24)/b9-6+
InChIKeyZJKDNNUACFXPIH-RMKNXTFCSA-N
MW336.39 g/mol
LogP2.68
Rot. Bonds6

About 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione

4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione (PubChem CID 11573586) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione
PubChem CID11573586
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione
SMILESCN(C)CCOc1ccc(/C=C/c2cccc3c2C(=O)NC3=O)cc1
InChIInChI=1S/C20H20N2O3/c1-22(2)12-13-25-16-10-7-14(8-11-16)6-9-15-4-3-5-17-18(15)20(24)21-19(17)23/h3-11H,12-13H2,1-2H3,(H,21,23,24)/b9-6+
InChIKeyZJKDNNUACFXPIH-RMKNXTFCSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
CID 118960630
2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
4-[(dimethylamino)methyl]isoindole-1,3-dione
CID 18348298
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
tert-butyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
CID 69301263
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
4-[2-(3,5-dichlorophenoxy)ethyl]isoindole-1,3-dione
CID 139822476

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione?
The IUPAC name of 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione (CID 11573586) is 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione?
The canonical SMILES for 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione is CN(C)CCOc1ccc(/C=C/c2cccc3c2C(=O)NC3=O)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione?
The InChIKey is ZJKDNNUACFXPIH-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(2)12-13-25-16-10-7-14(8-11-16)6-9-15-4-3-5-17-18(15)20(24)21-19(17)23/h3-11H,12-13H2,1-2H3,(H,21,23,24)/b9-6+.
What are the key properties of 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione?
4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione has a molecular weight of 336.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]isoindole-1,3-dione is sourced from PubChem (CID 11573586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).