2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione

C21H21NO4 — CID 67316336

IUPAC2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1cccc(OCC2CCC2)c1
InChIInChI=1S/C21H21NO4/c23-20-18-9-1-2-10-19(18)21(24)22(20)11-12-25-16-7-4-8-17(13-16)26-14-15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2
InChIKeyLSMOAORCZCAGQU-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.54
Rot. Bonds7

About 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione

2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione (PubChem CID 67316336) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione
PubChem CID67316336
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1cccc(OCC2CCC2)c1
InChIInChI=1S/C21H21NO4/c23-20-18-9-1-2-10-19(18)21(24)22(20)11-12-25-16-7-4-8-17(13-16)26-14-15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2
InChIKeyLSMOAORCZCAGQU-UHFFFAOYSA-N
XLogP3.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 110604617
2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
CID 67316681
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
2-[3-[3-[[(1R,2S)-2-hydroxycyclohexyl]methoxy]phenyl]propyl]isoindole-1,3-dione
CID 67316448
2-[4-(3-chlorophenoxy)butyl]isoindole-1,3-dione
CID 170886143
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
CID 14917019
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione (CID 67316336) is 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1cccc(OCC2CCC2)c1.
What is the InChIKey of 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione?
The InChIKey is LSMOAORCZCAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-20-18-9-1-2-10-19(18)21(24)22(20)11-12-25-16-7-4-8-17(13-16)26-14-15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2.
What are the key properties of 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione?
2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione has a molecular weight of 351.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 67316336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).