2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one

C21H20N2O3 — CID 137455959

IUPAC2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3ccc(-c4cccc5c4CCO5)cc3)C2)N1
InChIInChI=1S/C21H20N2O3/c24-19-8-10-21(22-19)12-23(13-21)20(25)15-6-4-14(5-7-15)16-2-1-3-18-17(16)9-11-26-18/h1-7H,8-13H2,(H,22,24)
InChIKeyNXIWYIGALLEVSG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.39
Rot. Bonds2

About 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one

2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 137455959) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID137455959
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3ccc(-c4cccc5c4CCO5)cc3)C2)N1
InChIInChI=1S/C21H20N2O3/c24-19-8-10-21(22-19)12-23(13-21)20(25)15-6-4-14(5-7-15)16-2-1-3-18-17(16)9-11-26-18/h1-7H,8-13H2,(H,22,24)
InChIKeyNXIWYIGALLEVSG-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one (CID 137455959) is 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one is O=C1CCC2(CN(C(=O)c3ccc(-c4cccc5c4CCO5)cc3)C2)N1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is NXIWYIGALLEVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-8-10-21(22-19)12-23(13-21)20(25)15-6-4-14(5-7-15)16-2-1-3-18-17(16)9-11-26-18/h1-7H,8-13H2,(H,22,24).
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 348.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137455959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).