ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate

C23H25NO5 — CID 57138770

IUPACethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
SMILESCCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C23H25NO5/c1-3-28-23(26)21-17-10-6-7-11-18(17)22(25)24(21)15-12-13-19(27-2)20(14-15)29-16-8-4-5-9-16/h6-7,10-14,16,21H,3-5,8-9H2,1-2H3
InChIKeyXEWPMLGEOCNLNK-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.28
Rot. Bonds6

About ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate

ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate (PubChem CID 57138770) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
PubChem CID57138770
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Nameethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
SMILESCCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C23H25NO5/c1-3-28-23(26)21-17-10-6-7-11-18(17)22(25)24(21)15-12-13-19(27-2)20(14-15)29-16-8-4-5-9-16/h6-7,10-14,16,21H,3-5,8-9H2,1-2H3
InChIKeyXEWPMLGEOCNLNK-UHFFFAOYSA-N
XLogP4.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-(cyclopropylmethyl)-3H-isoindol-1-one
CID 57088865
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
CID 54425395
3-amino-2-[3-(cyclopentylmethoxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121295
2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
CID 57045932
3-(cyclopropylmethyl)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121512
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethenyl-5,6-dimethyl-3H-isoindol-1-one
CID 142627972
6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57148496
2-(3-cyclopentyloxy-4-methoxyphenyl)-6-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-3H-isoindol-1-one
CID 70162783
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate?
The IUPAC name of ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate (CID 57138770) is ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate?
The canonical SMILES for ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate is CCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate?
The InChIKey is XEWPMLGEOCNLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-3-28-23(26)21-17-10-6-7-11-18(17)22(25)24(21)15-12-13-19(27-2)20(14-15)29-16-8-4-5-9-16/h6-7,10-14,16,21H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate?
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate is sourced from PubChem (CID 57138770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).