dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C21H21NO3 — CID 171939269

IUPACdibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1ccc3oc4ccccc4c3c1)C2
InChIInChI=1S/C21H21NO3/c1-22-15-8-14(9-16(22)12-24-11-15)21(23)13-6-7-20-18(10-13)17-4-2-3-5-19(17)25-20/h2-7,10,14-16H,8-9,11-12H2,1H3
InChIKeyUVPKGHLKFUXSBA-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.88
Rot. Bonds2

About dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171939269) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Namedibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171939269
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namedibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1ccc3oc4ccccc4c3c1)C2
InChIInChI=1S/C21H21NO3/c1-22-15-8-14(9-16(22)12-24-11-15)21(23)13-6-7-20-18(10-13)17-4-2-3-5-19(17)25-20/h2-7,10,14-16H,8-9,11-12H2,1H3
InChIKeyUVPKGHLKFUXSBA-UHFFFAOYSA-N
XLogP3.88
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171939269) is dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1ccc3oc4ccccc4c3c1)C2.
What is the InChIKey of dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is UVPKGHLKFUXSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-22-15-8-14(9-16(22)12-24-11-15)21(23)13-6-7-20-18(10-13)17-4-2-3-5-19(17)25-20/h2-7,10,14-16H,8-9,11-12H2,1H3.
What are the key properties of dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171939269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).