2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione

C25H24N2O4 — CID 142665166

IUPAC2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(-c2cccnc2C(C)N2C(=O)c3ccccc3C2=O)c(OCC)c1
InChIInChI=1S/C25H24N2O4/c1-4-30-17-12-13-18(22(15-17)31-5-2)19-11-8-14-26-23(19)16(3)27-24(28)20-9-6-7-10-21(20)25(27)29/h6-16H,4-5H2,1-3H3
InChIKeyHJFXIOYJTXNQCC-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.90
Rot. Bonds7

About 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione

2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione (PubChem CID 142665166) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione
PubChem CID142665166
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(-c2cccnc2C(C)N2C(=O)c3ccccc3C2=O)c(OCC)c1
InChIInChI=1S/C25H24N2O4/c1-4-30-17-12-13-18(22(15-17)31-5-2)19-11-8-14-26-23(19)16(3)27-24(28)20-9-6-7-10-21(20)25(27)29/h6-16H,4-5H2,1-3H3
InChIKeyHJFXIOYJTXNQCC-UHFFFAOYSA-N
XLogP4.90
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,5-diethoxyphenyl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 14369903
2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 171813881
2-[(1R)-1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]isoindole-1,3-dione
CID 175763137
2,4-diethoxy-1-phenylbenzene
CID 132889855
2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxybutyl]isoindole-1,3-dione
CID 141117216
2-(2-ethoxy-4-methoxyphenyl)-3-methylpyridine
CID 132851345
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione
CID 144608601
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763826
2-[(1S)-2-amino-1-(3-ethoxy-4-methoxyphenyl)ethyl]isoindole-1,3-dione
CID 67991542
2-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]isoindole-1,3-dione
CID 42563753

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione (CID 142665166) is 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione is CCOc1ccc(-c2cccnc2C(C)N2C(=O)c3ccccc3C2=O)c(OCC)c1.
What is the InChIKey of 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione?
The InChIKey is HJFXIOYJTXNQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-4-30-17-12-13-18(22(15-17)31-5-2)19-11-8-14-26-23(19)16(3)27-24(28)20-9-6-7-10-21(20)25(27)29/h6-16H,4-5H2,1-3H3.
What are the key properties of 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione?
2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione has a molecular weight of 416.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 142665166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).