7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

C20H22N2O4 — CID 166366343

IUPAC7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCCCCc1oc2ccccc2c1C(=O)N1CCC2(CC(=O)NC2=O)C1
InChIInChI=1S/C20H22N2O4/c1-2-3-7-15-17(13-6-4-5-8-14(13)26-15)18(24)22-10-9-20(12-22)11-16(23)21-19(20)25/h4-6,8H,2-3,7,9-12H2,1H3,(H,21,23,25)
InChIKeyDBPZUASMINTXEF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.65
Rot. Bonds4

About 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 166366343) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID166366343
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCCCCc1oc2ccccc2c1C(=O)N1CCC2(CC(=O)NC2=O)C1
InChIInChI=1S/C20H22N2O4/c1-2-3-7-15-17(13-6-4-5-8-14(13)26-15)18(24)22-10-9-20(12-22)11-16(23)21-19(20)25/h4-6,8H,2-3,7,9-12H2,1H3,(H,21,23,25)
InChIKeyDBPZUASMINTXEF-UHFFFAOYSA-N
XLogP2.65
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 166366343) is 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is CCCCc1oc2ccccc2c1C(=O)N1CCC2(CC(=O)NC2=O)C1.
What is the InChIKey of 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is DBPZUASMINTXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-3-7-15-17(13-6-4-5-8-14(13)26-15)18(24)22-10-9-20(12-22)11-16(23)21-19(20)25/h4-6,8H,2-3,7,9-12H2,1H3,(H,21,23,25).
What are the key properties of 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 354.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 166366343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).