2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione

C24H34N2O4 — CID 108754184

IUPAC2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
SMILESCOC1CCN(C(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C24H34N2O4/c1-30-19-15-17-25(18-19)22(27)14-8-6-4-2-3-5-7-11-16-26-23(28)20-12-9-10-13-21(20)24(26)29/h9-10,12-13,19H,2-8,11,14-18H2,1H3
InChIKeyKFKOTAQWFMYCIO-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.04
Rot. Bonds12

About 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione

2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione (PubChem CID 108754184) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
PubChem CID108754184
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
SMILESCOC1CCN(C(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C24H34N2O4/c1-30-19-15-17-25(18-19)22(27)14-8-6-4-2-3-5-7-11-16-26-23(28)20-12-9-10-13-21(20)24(26)29/h9-10,12-13,19H,2-8,11,14-18H2,1H3
InChIKeyKFKOTAQWFMYCIO-UHFFFAOYSA-N
XLogP4.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-oxobutyl]isoindole-1,3-dione
CID 8803181
2-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110294886
2-[4-oxo-4-(4-pyrimidin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90558819
2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108536789
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110867879
methyl (2S)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-hydroxypyrrolidine-2-carboxylate
CID 146254122
2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 3367410

Frequently Asked Questions

What is the IUPAC name of 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione?
The IUPAC name of 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione (CID 108754184) is 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione?
The canonical SMILES for 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione is COC1CCN(C(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione?
The InChIKey is KFKOTAQWFMYCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-30-19-15-17-25(18-19)22(27)14-8-6-4-2-3-5-7-11-16-26-23(28)20-12-9-10-13-21(20)24(26)29/h9-10,12-13,19H,2-8,11,14-18H2,1H3.
What are the key properties of 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione?
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione has a molecular weight of 414.55 g/mol, XLogP of 4.04, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione is sourced from PubChem (CID 108754184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).