7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C22H28N2O3 — CID 175645876

IUPAC7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)Cc3coc4cc(C)cc(C)c34)C2)C1=O
InChIInChI=1S/C22H28N2O3/c1-4-7-23-8-5-22(21(23)26)6-9-24(14-22)19(25)12-17-13-27-18-11-15(2)10-16(3)20(17)18/h10-11,13H,4-9,12,14H2,1-3H3
InChIKeyYVEOHTQBRCNEAW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.45
Rot. Bonds4

About 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175645876) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175645876
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)Cc3coc4cc(C)cc(C)c34)C2)C1=O
InChIInChI=1S/C22H28N2O3/c1-4-7-23-8-5-22(21(23)26)6-9-24(14-22)19(25)12-17-13-27-18-11-15(2)10-16(3)20(17)18/h10-11,13H,4-9,12,14H2,1-3H3
InChIKeyYVEOHTQBRCNEAW-UHFFFAOYSA-N
XLogP3.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-[2-(2,3-difluorophenyl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646532
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 119069770
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
CID 18859351
4-[4-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 137342765
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
7-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646399
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97133028
7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176500159
7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643383
7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645790

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 175645876) is 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)Cc3coc4cc(C)cc(C)c34)C2)C1=O.
What is the InChIKey of 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is YVEOHTQBRCNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-7-23-8-5-22(21(23)26)6-9-24(14-22)19(25)12-17-13-27-18-11-15(2)10-16(3)20(17)18/h10-11,13H,4-9,12,14H2,1-3H3.
What are the key properties of 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175645876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).