5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C18H24N2O — CID 6485518

IUPAC5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(C)(CN(C1)C3c1ccccc1C)C2=O
InChIInChI=1S/C18H24N2O/c1-4-18-11-19-9-17(3,16(18)21)10-20(12-18)15(19)14-8-6-5-7-13(14)2/h5-8,15H,4,9-12H2,1-3H3
InChIKeyFELIERDIISRUBD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds2

About 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 6485518) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID6485518
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(C)(CN(C1)C3c1ccccc1C)C2=O
InChIInChI=1S/C18H24N2O/c1-4-18-11-19-9-17(3,16(18)21)10-20(12-18)15(19)14-8-6-5-7-13(14)2/h5-8,15H,4,9-12H2,1-3H3
InChIKeyFELIERDIISRUBD-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 6485518) is 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCC12CN3CC(C)(CN(C1)C3c1ccccc1C)C2=O.
What is the InChIKey of 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is FELIERDIISRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-18-11-19-9-17(3,16(18)21)10-20(12-18)15(19)14-8-6-5-7-13(14)2/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 284.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 6485518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).