2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone

C19H28N2O2 — CID 71863510

IUPAC2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
SMILESCCN(C)C(C(=O)N1C2CCC1CC(C)(O)C2)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-4-20(3)17(14-8-6-5-7-9-14)18(22)21-15-10-11-16(21)13-19(2,23)12-15/h5-9,15-17,23H,4,10-13H2,1-3H3
InChIKeyLWOYHSNRJWWNCL-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.58
Rot. Bonds4

About 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone

2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone (PubChem CID 71863510) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
PubChem CID71863510
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
SMILESCCN(C)C(C(=O)N1C2CCC1CC(C)(O)C2)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-4-20(3)17(14-8-6-5-7-9-14)18(22)21-15-10-11-16(21)13-19(2,23)12-15/h5-9,15-17,23H,4,10-13H2,1-3H3
InChIKeyLWOYHSNRJWWNCL-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone?
The IUPAC name of 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone (CID 71863510) is 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone is CCN(C)C(C(=O)N1C2CCC1CC(C)(O)C2)c1ccccc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone?
The InChIKey is LWOYHSNRJWWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-20(3)17(14-8-6-5-7-9-14)18(22)21-15-10-11-16(21)13-19(2,23)12-15/h5-9,15-17,23H,4,10-13H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone?
2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone has a molecular weight of 316.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone is sourced from PubChem (CID 71863510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).