4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione

C18H18N2O2 — CID 70493572

IUPAC4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
SMILESCCc1cccc(CC)c1N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C18H18N2O2/c1-3-11-7-5-8-12(4-2)16(11)20-17(21)13-9-6-10-14(19)15(13)18(20)22/h5-10H,3-4,19H2,1-2H3
InChIKeyIFROZWBAIKSIEH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.19
Rot. Bonds3

About 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione

4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione (PubChem CID 70493572) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
PubChem CID70493572
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
SMILESCCc1cccc(CC)c1N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C18H18N2O2/c1-3-11-7-5-8-12(4-2)16(11)20-17(21)13-9-6-10-14(19)15(13)18(20)22/h5-10H,3-4,19H2,1-2H3
InChIKeyIFROZWBAIKSIEH-UHFFFAOYSA-N
XLogP3.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
benz(cd)indol-2(1H)-one
CID 67222
N-1-Naphthylphthalimide
CID 79252
5-Phenylisatin
CID 14810157
1H-Isoindole-1,3(2H)-dione, 4-amino-
CID 72914
2,6-Dimethylphenylphthalimide
CID 73324
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione (CID 70493572) is 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione is CCc1cccc(CC)c1N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione?
The InChIKey is IFROZWBAIKSIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-11-7-5-8-12(4-2)16(11)20-17(21)13-9-6-10-14(19)15(13)18(20)22/h5-10H,3-4,19H2,1-2H3.
What are the key properties of 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione?
4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione has a molecular weight of 294.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 70493572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).