2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione

C24H29NO3 — CID 102054371

IUPAC2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione
SMILESCC(C)(C)COC(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
InChIInChI=1S/C24H29NO3/c1-24(2,3)17-28-19(16-18-10-5-4-6-11-18)12-9-15-25-22(26)20-13-7-8-14-21(20)23(25)27/h4-8,10-11,13-14,19H,9,12,15-17H2,1-3H3
InChIKeyVMFCWWPTCMNSCS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.74
Rot. Bonds8

About 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione

2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione (PubChem CID 102054371) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione
PubChem CID102054371
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione
SMILESCC(C)(C)COC(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
InChIInChI=1S/C24H29NO3/c1-24(2,3)17-28-19(16-18-10-5-4-6-11-18)12-9-15-25-22(26)20-13-7-8-14-21(20)23(25)27/h4-8,10-11,13-14,19H,9,12,15-17H2,1-3H3
InChIKeyVMFCWWPTCMNSCS-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
2-(4-hydroxy-6-phenylhexyl)isoindole-1,3-dione
CID 58386199
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
CID 171374663
CID 171374663
2-[(4R)-4-bromohexyl]isoindole-1,3-dione
CID 129405384
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
2-[1-[4-(4-chlorophenyl)phenyl]ethoxymethyl]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 18173190
[(3S)-2,2-dimethyl-3-phenylmethoxypent-4-enyl] 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonate
CID 86628879
2-(5-bromo-6-oxoheptyl)isoindole-1,3-dione
CID 89147876
2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoyl chloride
CID 89149120
2-(3-sulfanyl-3-tritert-butylsilylpropyl)isoindole-1,3-dione
CID 102364254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione (CID 102054371) is 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione is CC(C)(C)COC(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1.
What is the InChIKey of 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione?
The InChIKey is VMFCWWPTCMNSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-24(2,3)17-28-19(16-18-10-5-4-6-11-18)12-9-15-25-22(26)20-13-7-8-14-21(20)23(25)27/h4-8,10-11,13-14,19H,9,12,15-17H2,1-3H3.
What are the key properties of 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione?
2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione has a molecular weight of 379.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropoxy)-5-phenylpentyl]isoindole-1,3-dione is sourced from PubChem (CID 102054371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).