7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C26H28N2O3 — CID 175645790

IUPAC7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc2c(C)c(C(=O)N3CCC4(CCN(CCc5ccccc5)C4=O)C3)oc2c1
InChIInChI=1S/C26H28N2O3/c1-18-8-9-21-19(2)23(31-22(21)16-18)24(29)28-15-12-26(17-28)11-14-27(25(26)30)13-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3
InChIKeyNVTYWXFVDHAHMW-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.36
Rot. Bonds4

About 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175645790) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175645790
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc2c(C)c(C(=O)N3CCC4(CCN(CCc5ccccc5)C4=O)C3)oc2c1
InChIInChI=1S/C26H28N2O3/c1-18-8-9-21-19(2)23(31-22(21)16-18)24(29)28-15-12-26(17-28)11-14-27(25(26)30)13-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3
InChIKeyNVTYWXFVDHAHMW-UHFFFAOYSA-N
XLogP4.36
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

(5S)-2-(3,6-dimethyl-1-benzofuran-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95724205
2-(3,6-dimethyl-1-benzofuran-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56898957
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179648
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640654
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
CID 70737776
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271

Frequently Asked Questions

What is the IUPAC name of 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175645790) is 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccc2c(C)c(C(=O)N3CCC4(CCN(CCc5ccccc5)C4=O)C3)oc2c1.
What is the InChIKey of 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is NVTYWXFVDHAHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-8-9-21-19(2)23(31-22(21)16-18)24(29)28-15-12-26(17-28)11-14-27(25(26)30)13-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 416.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175645790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).