(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

C18H25NO3 — CID 171941073

IUPAC(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C18H25NO3/c1-19-13-6-4-7-14(19)11-12(10-13)18(20)17-15(21-2)8-5-9-16(17)22-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3
InChIKeyXZOKXANTYRHKPT-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.15
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171941073) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171941073
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C18H25NO3/c1-19-13-6-4-7-14(19)11-12(10-13)18(20)17-15(21-2)8-5-9-16(17)22-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3
InChIKeyXZOKXANTYRHKPT-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 215346
1-(2,4-Dimethoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171941073) is (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is COc1cccc(OC)c1C(=O)C1CC2CCCC(C1)N2C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is XZOKXANTYRHKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-19-13-6-4-7-14(19)11-12(10-13)18(20)17-15(21-2)8-5-9-16(17)22-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 303.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171941073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).