methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate

C24H25NO6 — CID 15435485

IUPACmethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCOC(=O)CC(c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25NO6/c1-29-20-12-11-15(13-21(20)31-16-7-3-4-8-16)19(14-22(26)30-2)25-23(27)17-9-5-6-10-18(17)24(25)28/h5-6,9-13,16,19H,3-4,7-8,14H2,1-2H3
InChIKeyQHRUOVZCUAYCJQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.92
Rot. Bonds7

About methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate

methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 15435485) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID15435485
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Namemethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCOC(=O)CC(c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25NO6/c1-29-20-12-11-15(13-21(20)31-16-7-3-4-8-16)19(14-22(26)30-2)25-23(27)17-9-5-6-10-18(17)24(25)28/h5-6,9-13,16,19H,3-4,7-8,14H2,1-2H3
InChIKeyQHRUOVZCUAYCJQ-UHFFFAOYSA-N
XLogP3.92
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate (CID 15435485) is methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate is COC(=O)CC(c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is QHRUOVZCUAYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-29-20-12-11-15(13-21(20)31-16-7-3-4-8-16)19(14-22(26)30-2)25-23(27)17-9-5-6-10-18(17)24(25)28/h5-6,9-13,16,19H,3-4,7-8,14H2,1-2H3.
What are the key properties of methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate?
methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 423.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 15435485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).