5-amino-2-octylisoindole-1,3-dione

C16H22N2O2 — CID 24805571

IUPAC5-amino-2-octylisoindole-1,3-dione
SMILESCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-10-18-15(19)13-9-8-12(17)11-14(13)16(18)20/h8-9,11H,2-7,10,17H2,1H3
InChIKeyWKBKANBWADLVSJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.23
Rot. Bonds7

About 5-amino-2-octylisoindole-1,3-dione

5-amino-2-octylisoindole-1,3-dione (PubChem CID 24805571) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-amino-2-octylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-octylisoindole-1,3-dione
PubChem CID24805571
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-amino-2-octylisoindole-1,3-dione
SMILESCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-10-18-15(19)13-9-8-12(17)11-14(13)16(18)20/h8-9,11H,2-7,10,17H2,1H3
InChIKeyWKBKANBWADLVSJ-UHFFFAOYSA-N
XLogP3.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ropinirole
CID 5095
Lenalidomide
CID 216326
4-Nitro-N-methylphthalimide
CID 92321
4-Aminophthalimide
CID 72915
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
4-Nitrophthalimide
CID 6969
4-amino-N,N-diethylbenzamide
CID 458760
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
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
Lenalidomide, (S)-
CID 12044976
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-octylisoindole-1,3-dione?
The IUPAC name of 5-amino-2-octylisoindole-1,3-dione (CID 24805571) is 5-amino-2-octylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-octylisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-octylisoindole-1,3-dione is CCCCCCCCN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-octylisoindole-1,3-dione?
The InChIKey is WKBKANBWADLVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-10-18-15(19)13-9-8-12(17)11-14(13)16(18)20/h8-9,11H,2-7,10,17H2,1H3.
What are the key properties of 5-amino-2-octylisoindole-1,3-dione?
5-amino-2-octylisoindole-1,3-dione has a molecular weight of 274.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-octylisoindole-1,3-dione is sourced from PubChem (CID 24805571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).