(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C20H23NO3 — CID 171943190

IUPAC(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3COCC(C2)N3C)c2ccccc12
InChIInChI=1S/C20H23NO3/c1-21-14-9-13(10-15(21)12-24-11-14)20(22)18-7-8-19(23-2)17-6-4-3-5-16(17)18/h3-8,13-15H,9-12H2,1-2H3
InChIKeyFHOAXFPBQKHYJP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171943190) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171943190
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3COCC(C2)N3C)c2ccccc12
InChIInChI=1S/C20H23NO3/c1-21-14-9-13(10-15(21)12-24-11-14)20(22)18-7-8-19(23-2)17-6-4-3-5-16(17)18/h3-8,13-15H,9-12H2,1-2H3
InChIKeyFHOAXFPBQKHYJP-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

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Related Compounds

(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-quinolin-4-ylmethanone
CID 171941825
1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171942315
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947197
(4-methoxynaphthalen-1-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943186
tert-butyl 7-(4-fluoronaphthalene-1-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949032
dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171939269
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-phenylphenyl)methanone
CID 171943315
furan-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171938762
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
9H-fluoren-9-ylmethyl 7-(4-methoxy-2,5-dimethylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171940716

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171943190) is (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ccc(C(=O)C2CC3COCC(C2)N3C)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is FHOAXFPBQKHYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-14-9-13(10-15(21)12-24-11-14)20(22)18-7-8-19(23-2)17-6-4-3-5-16(17)18/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171943190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).