2-(5-pentoxypentyl)isoindole-1,3-dione

C18H25NO3 — CID 139959537

IUPAC2-(5-pentoxypentyl)isoindole-1,3-dione
SMILESCCCCCOCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-2-3-8-13-22-14-9-4-7-12-19-17(20)15-10-5-6-11-16(15)18(19)21/h5-6,10-11H,2-4,7-9,12-14H2,1H3
InChIKeyBNQUJUOLFRRQMP-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.66
Rot. Bonds10

About 2-(5-pentoxypentyl)isoindole-1,3-dione

2-(5-pentoxypentyl)isoindole-1,3-dione (PubChem CID 139959537) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(5-pentoxypentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-pentoxypentyl)isoindole-1,3-dione
PubChem CID139959537
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(5-pentoxypentyl)isoindole-1,3-dione
SMILESCCCCCOCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-2-3-8-13-22-14-9-4-7-12-19-17(20)15-10-5-6-11-16(15)18(19)21/h5-6,10-11H,2-4,7-9,12-14H2,1H3
InChIKeyBNQUJUOLFRRQMP-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-pentoxypentyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
3-(2-hexoxyphenoxy)propan-1-amine;2-[3-(2-hexoxyphenoxy)propyl]isoindole-1,3-dione
CID 159194160
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)propyl-hexadecyl-dimethylazanium
CID 19834288
2-(2-dodecoxy-3-octadecoxypropyl)isoindole-1,3-dione;ethane
CID 142168416
2-[[4-(hexoxymethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139959225
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237

Frequently Asked Questions

What is the IUPAC name of 2-(5-pentoxypentyl)isoindole-1,3-dione?
The IUPAC name of 2-(5-pentoxypentyl)isoindole-1,3-dione (CID 139959537) is 2-(5-pentoxypentyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-pentoxypentyl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-pentoxypentyl)isoindole-1,3-dione is CCCCCOCCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(5-pentoxypentyl)isoindole-1,3-dione?
The InChIKey is BNQUJUOLFRRQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-3-8-13-22-14-9-4-7-12-19-17(20)15-10-5-6-11-16(15)18(19)21/h5-6,10-11H,2-4,7-9,12-14H2,1H3.
What are the key properties of 2-(5-pentoxypentyl)isoindole-1,3-dione?
2-(5-pentoxypentyl)isoindole-1,3-dione has a molecular weight of 303.40 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pentoxypentyl)isoindole-1,3-dione is sourced from PubChem (CID 139959537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).