(3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone

C18H21NO4 — CID 138002387

IUPAC(3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone
SMILESCOc1c(C(=O)N2CC(C)OC3(CCC3)C2)oc2ccccc12
InChIInChI=1S/C18H21NO4/c1-12-10-19(11-18(23-12)8-5-9-18)17(20)16-15(21-2)13-6-3-4-7-14(13)22-16/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyFSXTWJOWXWCGOD-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.22
Rot. Bonds2

About (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone

(3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone (PubChem CID 138002387) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone
PubChem CID138002387
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone
SMILESCOc1c(C(=O)N2CC(C)OC3(CCC3)C2)oc2ccccc12
InChIInChI=1S/C18H21NO4/c1-12-10-19(11-18(23-12)8-5-9-18)17(20)16-15(21-2)13-6-3-4-7-14(13)22-16/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyFSXTWJOWXWCGOD-UHFFFAOYSA-N
XLogP3.22
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone (CID 138002387) is (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone is COc1c(C(=O)N2CC(C)OC3(CCC3)C2)oc2ccccc12.
What is the InChIKey of (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is FSXTWJOWXWCGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-10-19(11-18(23-12)8-5-9-18)17(20)16-15(21-2)13-6-3-4-7-14(13)22-16/h3-4,6-7,12H,5,8-11H2,1-2H3.
What are the key properties of (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone?
(3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-benzofuran-2-yl)-(6-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 138002387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).