3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H19N3O4 — CID 2464446

IUPAC3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19N3O4/c22-14-12-6-2-3-7-13(12)15(23)20(14)10-11-21-16(24)18(19-17(21)25)8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,19,25)
InChIKeyUCLSWAVVLGEKCW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.54
Rot. Bonds3

About 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2464446) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2464446
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19N3O4/c22-14-12-6-2-3-7-13(12)15(23)20(14)10-11-21-16(24)18(19-17(21)25)8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,19,25)
InChIKeyUCLSWAVVLGEKCW-UHFFFAOYSA-N
XLogP1.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2464446) is 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UCLSWAVVLGEKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-14-12-6-2-3-7-13(12)15(23)20(14)10-11-21-16(24)18(19-17(21)25)8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,19,25).
What are the key properties of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2464446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).