2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C23H28N2O — CID 8695694

IUPAC2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCc1ccc(CN(C)CC(=O)N2CC=C(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O/c1-18-9-10-22(19(2)15-18)16-24(3)17-23(26)25-13-11-21(12-14-25)20-7-5-4-6-8-20/h4-11,15H,12-14,16-17H2,1-3H3
InChIKeyLQJHGYCEERTIQZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.05
Rot. Bonds5

About 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 8695694) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID8695694
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCc1ccc(CN(C)CC(=O)N2CC=C(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O/c1-18-9-10-22(19(2)15-18)16-24(3)17-23(26)25-13-11-21(12-14-25)20-7-5-4-6-8-20/h4-11,15H,12-14,16-17H2,1-3H3
InChIKeyLQJHGYCEERTIQZ-UHFFFAOYSA-N
XLogP4.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone with MolForge

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8681261
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
CID 115257415
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 166196938
2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8695674
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 18197627
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 17479375
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate
CID 9079467

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 8695694) is 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is Cc1ccc(CN(C)CC(=O)N2CC=C(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is LQJHGYCEERTIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-9-10-22(19(2)15-18)16-24(3)17-23(26)25-13-11-21(12-14-25)20-7-5-4-6-8-20/h4-11,15H,12-14,16-17H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 348.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 8695694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).