2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide

C24H33N3O2 — CID 156894280

IUPAC2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1(C)CC(C)(O)C1)c1cccnc1
InChIInChI=1S/C24H33N3O2/c1-22(2,3)18-9-11-19(12-10-18)27(6)20(17-8-7-13-25-14-17)21(28)26-23(4)15-24(5,29)16-23/h7-14,20,29H,15-16H2,1-6H3,(H,26,28)
InChIKeyFKEUBLHXJIOTSJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide

2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide (PubChem CID 156894280) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide
PubChem CID156894280
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1(C)CC(C)(O)C1)c1cccnc1
InChIInChI=1S/C24H33N3O2/c1-22(2,3)18-9-11-19(12-10-18)27(6)20(17-8-7-13-25-14-17)21(28)26-23(4)15-24(5,29)16-23/h7-14,20,29H,15-16H2,1-6H3,(H,26,28)
InChIKeyFKEUBLHXJIOTSJ-UHFFFAOYSA-N
XLogP3.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 156893603
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 45489437
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide;2-formyl-3-hydroxyazetidine-1-carbonitrile
CID 156894115
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
CID 45489439
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide
CID 146148668
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-methylpyrrolidine-2-carboxamide
CID 156893109
N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 44634782
N-(4-tert-butylphenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 156907379
2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide;2-formylpyrrolidine-1-carbonitrile
CID 156892763
2-(4-tert-butyl-N-methylanilino)-N-(oxan-4-yl)-2-pyridin-3-ylacetamide;2-formylpyrrolidine-1-carbonitrile
CID 156893133
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
2-(4-tert-butyl-N-prop-2-ynylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791167

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide (CID 156894280) is 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide is CN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1(C)CC(C)(O)C1)c1cccnc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide?
The InChIKey is FKEUBLHXJIOTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-22(2,3)18-9-11-19(12-10-18)27(6)20(17-8-7-13-25-14-17)21(28)26-23(4)15-24(5,29)16-23/h7-14,20,29H,15-16H2,1-6H3,(H,26,28).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide?
2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide has a molecular weight of 395.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 156894280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).