3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

C18H23NO2 — CID 3295146

IUPAC3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCc1ccccc1N1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C18H23NO2/c1-5-12-8-6-7-9-14(12)19-15(20)13-10-11-18(4,16(19)21)17(13,2)3/h6-9,13H,5,10-11H2,1-4H3
InChIKeyWJRPGDRTJITICN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds2

About 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 3295146) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID3295146
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCc1ccccc1N1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C18H23NO2/c1-5-12-8-6-7-9-14(12)19-15(20)13-10-11-18(4,16(19)21)17(13,2)3/h6-9,13H,5,10-11H2,1-4H3
InChIKeyWJRPGDRTJITICN-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione with MolForge

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Related Compounds

8-(4-Methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1988196
8-Phenyl-8-azaspiro[4.5]decane-7,9-dione
CID 1552638
8-(2-Methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1864514
3-(3,4-Dimethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2901922
1,8,8-Trimethyl-3-{[(2-methylphenyl)amino]methyl}-3-azabicyclo[3.2.1]octane-2,4-dione
CID 3094906
4-Methyl-1-[4-(propan-2-yl)phenyl]piperidine-2,6-dione
CID 4001498
1-(2-Ethyl-6-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732560
3-(3-Chlorophenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2837086
8-[2-(4-o-Tolyl-piperazin-1-yl)-ethyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 11474152
8-{2-[4-(2-Cyclopropyl-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11474937
1-(2,6-Dimethylphenyl)-3,3-dimethylpiperidine-2,6-dione
CID 2732374
2,6-Piperidinedione, 1,4-diphenyl-
CID 2812798

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione (CID 3295146) is 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is CCc1ccccc1N1C(=O)C2CCC(C)(C1=O)C2(C)C.
What is the InChIKey of 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is WJRPGDRTJITICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-12-8-6-7-9-14(12)19-15(20)13-10-11-18(4,16(19)21)17(13,2)3/h6-9,13H,5,10-11H2,1-4H3.
What are the key properties of 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 285.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 3295146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).