cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate

C25H29NO6 — CID 67463146

IUPACcyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate
SMILESCOc1ccc(-c2cccc3c2CNC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC
InChIInChI=1S/C25H29NO6/c1-25(2,24(28)31-15-8-5-6-9-15)32-21-17(12-13-20(29-3)22(21)30-4)16-10-7-11-18-19(16)14-26-23(18)27/h7,10-13,15H,5-6,8-9,14H2,1-4H3,(H,26,27)
InChIKeyYPDCFDHLQMDHIF-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.26
Rot. Bonds7

About cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate

cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate (PubChem CID 67463146) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate
PubChem CID67463146
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC Namecyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate
SMILESCOc1ccc(-c2cccc3c2CNC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC
InChIInChI=1S/C25H29NO6/c1-25(2,24(28)31-15-8-5-6-9-15)32-21-17(12-13-20(29-3)22(21)30-4)16-10-7-11-18-19(16)14-26-23(18)27/h7,10-13,15H,5-6,8-9,14H2,1-4H3,(H,26,27)
InChIKeyYPDCFDHLQMDHIF-UHFFFAOYSA-N
XLogP4.26
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]cyclopropane-1-carboxylate
CID 67465796
2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]ethyl cyclopropanecarboxylate
CID 67463982
cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate
CID 71279624
1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclobutane-1-carboxylic acid
CID 71278462
cyclopentyl 3-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]-2,2-dimethylpropanoate
CID 67467191
7-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-6,6-dimethylheptanoic acid
CID 123232602
[(3R)-oxolan-3-yl] 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
CID 67465850
ethyl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclobutane-1-carboxylate
CID 67467161
[1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropyl] propanoate
CID 71278450
propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
CID 67467097
[1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropyl] 2-methylpropanoate
CID 71278431
1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 123614887

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate?
The IUPAC name of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate (CID 67463146) is cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate?
The canonical SMILES for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate is COc1ccc(-c2cccc3c2CNC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC.
What is the InChIKey of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate?
The InChIKey is YPDCFDHLQMDHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO6/c1-25(2,24(28)31-15-8-5-6-9-15)32-21-17(12-13-20(29-3)22(21)30-4)16-10-7-11-18-19(16)14-26-23(18)27/h7,10-13,15H,5-6,8-9,14H2,1-4H3,(H,26,27).
What are the key properties of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate?
cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate has a molecular weight of 439.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 67463146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).