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

C17H23NO3 — CID 171947197

IUPAC(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(C)c(C(=O)C2CC3COCC(C2)N3C)c1
InChIInChI=1S/C17H23NO3/c1-11-4-5-15(20-3)8-16(11)17(19)12-6-13-9-21-10-14(7-12)18(13)2/h4-5,8,12-14H,6-7,9-10H2,1-3H3
InChIKeyYFOGGUSAVXXIPG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds3

About (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171947197) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171947197
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(C)c(C(=O)C2CC3COCC(C2)N3C)c1
InChIInChI=1S/C17H23NO3/c1-11-4-5-15(20-3)8-16(11)17(19)12-6-13-9-21-10-14(7-12)18(13)2/h4-5,8,12-14H,6-7,9-10H2,1-3H3
InChIKeyYFOGGUSAVXXIPG-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

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Related Compounds

(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943190
[4-(difluoromethoxy)phenyl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171940416
tert-butyl 7-(2,5-dimethylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944525
(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949785
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-quinolin-4-ylmethanone
CID 171941825
(3-ethoxyphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947025
1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171942315
furan-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171938762
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940656
4-fluoro-3-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171946753

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171947197) is (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ccc(C)c(C(=O)C2CC3COCC(C2)N3C)c1.
What is the InChIKey of (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is YFOGGUSAVXXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-4-5-15(20-3)8-16(11)17(19)12-6-13-9-21-10-14(7-12)18(13)2/h4-5,8,12-14H,6-7,9-10H2,1-3H3.
What are the key properties of (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171947197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).