5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione

C18H18N2O2 — CID 43826007

IUPAC5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione
SMILESCCc1ccc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C18H18N2O2/c1-3-12-4-6-13(7-5-12)11(2)19-14-8-9-15-16(10-14)18(22)20-17(15)21/h4-11,19H,3H2,1-2H3,(H,20,21,22)
InChIKeyGAYGNWVGHPQMTQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.31
Rot. Bonds4

About 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione

5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione (PubChem CID 43826007) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione
PubChem CID43826007
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione
SMILESCCc1ccc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C18H18N2O2/c1-3-12-4-6-13(7-5-12)11(2)19-14-8-9-15-16(10-14)18(22)20-17(15)21/h4-11,19H,3H2,1-2H3,(H,20,21,22)
InChIKeyGAYGNWVGHPQMTQ-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
CID 43826105
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione?
The IUPAC name of 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione (CID 43826007) is 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione is CCc1ccc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione?
The InChIKey is GAYGNWVGHPQMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-4-6-13(7-5-12)11(2)19-14-8-9-15-16(10-14)18(22)20-17(15)21/h4-11,19H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione?
5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione has a molecular weight of 294.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 43826007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).