2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione

C25H26N2O6 — CID 21472969

IUPAC2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione
SMILESCC(COC(C)CN1C(=O)c2ccccc2C1=O)OCC(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H26N2O6/c1-15(27-24(30)20-10-6-7-11-21(20)25(27)31)13-32-17(3)14-33-16(2)12-26-22(28)18-8-4-5-9-19(18)23(26)29/h4-11,15-17H,12-14H2,1-3H3
InChIKeyLGSKVLYNUKHAGI-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.78
Rot. Bonds9

About 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione

2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione (PubChem CID 21472969) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione
PubChem CID21472969
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione
SMILESCC(COC(C)CN1C(=O)c2ccccc2C1=O)OCC(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H26N2O6/c1-15(27-24(30)20-10-6-7-11-21(20)25(27)31)13-32-17(3)14-33-16(2)12-26-22(28)18-8-4-5-9-19(18)23(26)29/h4-11,15-17H,12-14H2,1-3H3
InChIKeyLGSKVLYNUKHAGI-UHFFFAOYSA-N
XLogP2.78
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
7-benzyl-18-[1-[1-[1-[1-[1-[1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 89394143
[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl] acetate
CID 14714940
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
7-[1-[1-[1-[1-[1-[1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl]-18-(4-phenylbutyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 89394135
[(2R)-2-(1,3-dioxoisoindol-2-yl)propyl] 4-methylbenzenesulfonate
CID 13477642
7-[1-[1-[1-[1-[1-[1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl]-18-phenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 89394162
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
CID 10592421
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione (CID 21472969) is 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione is CC(COC(C)CN1C(=O)c2ccccc2C1=O)OCC(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione?
The InChIKey is LGSKVLYNUKHAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-15(27-24(30)20-10-6-7-11-21(20)25(27)31)13-32-17(3)14-33-16(2)12-26-22(28)18-8-4-5-9-19(18)23(26)29/h4-11,15-17H,12-14H2,1-3H3.
What are the key properties of 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione?
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione has a molecular weight of 450.49 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)propoxy]propoxy]propyl]isoindole-1,3-dione is sourced from PubChem (CID 21472969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).