(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C17H23NO2 — CID 122255428

IUPAC(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H23NO2/c1-11-4-7-16(12(2)8-11)17(19)18-13-5-6-14(18)10-15(9-13)20-3/h4,7-8,13-15H,5-6,9-10H2,1-3H3
InChIKeyQBKKRZVQSNRFAG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.09
Rot. Bonds2

About (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 122255428) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID122255428
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H23NO2/c1-11-4-7-16(12(2)8-11)17(19)18-13-5-6-14(18)10-15(9-13)20-3/h4,7-8,13-15H,5-6,9-10H2,1-3H3
InChIKeyQBKKRZVQSNRFAG-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 122255428) is (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is COC1CC2CCC(C1)N2C(=O)c1ccc(C)cc1C.
What is the InChIKey of (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is QBKKRZVQSNRFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-4-7-16(12(2)8-11)17(19)18-13-5-6-14(18)10-15(9-13)20-3/h4,7-8,13-15H,5-6,9-10H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 122255428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).