2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione

C17H21NO4 — CID 155447693

IUPAC2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione
SMILESCC(C)(C)OC1(CON2C(=O)c3ccccc3C2=O)CCC1
InChIInChI=1S/C17H21NO4/c1-16(2,3)22-17(9-6-10-17)11-21-18-14(19)12-7-4-5-8-13(12)15(18)20/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyFZQMPWBQHXWBKE-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.95
Rot. Bonds4

About 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione

2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione (PubChem CID 155447693) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione
PubChem CID155447693
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione
SMILESCC(C)(C)OC1(CON2C(=O)c3ccccc3C2=O)CCC1
InChIInChI=1S/C17H21NO4/c1-16(2,3)22-17(9-6-10-17)11-21-18-14(19)12-7-4-5-8-13(12)15(18)20/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyFZQMPWBQHXWBKE-UHFFFAOYSA-N
XLogP2.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione with MolForge

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Related Compounds

2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione
CID 155747511
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate
CID 155747491
2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione
CID 86729180
2-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethoxy]isoindole-1,3-dione
CID 168975357
(1,3-dioxoisoindol-2-yl) 2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetate
CID 142436754
[3-[[1-[(1,3-dioxoisoindol-2-yl)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate
CID 22722590
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
CID 59846673
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
CID 24906032
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
CID 142436740
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693
2-[(1-tert-butylcyclopropyl)methyl]isoindole-1,3-dione
CID 89486758

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione (CID 155447693) is 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione is CC(C)(C)OC1(CON2C(=O)c3ccccc3C2=O)CCC1.
What is the InChIKey of 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione?
The InChIKey is FZQMPWBQHXWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-16(2,3)22-17(9-6-10-17)11-21-18-14(19)12-7-4-5-8-13(12)15(18)20/h4-5,7-8H,6,9-11H2,1-3H3.
What are the key properties of 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione?
2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione has a molecular weight of 303.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 155447693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).