N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide

C18H22N2O2 — CID 143155991

IUPACN-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide
SMILESCCC(O)(C(=O)NCc1cc(C)cnc1C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-4-18(22,16-8-6-5-7-9-16)17(21)20-12-15-10-13(2)11-19-14(15)3/h5-11,22H,4,12H2,1-3H3,(H,20,21)
InChIKeyUBZMQXXSHGSBFO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.61
Rot. Bonds5

About N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide

N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide (PubChem CID 143155991) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide
PubChem CID143155991
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide
SMILESCCC(O)(C(=O)NCc1cc(C)cnc1C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-4-18(22,16-8-6-5-7-9-16)17(21)20-12-15-10-13(2)11-19-14(15)3/h5-11,22H,4,12H2,1-3H3,(H,20,21)
InChIKeyUBZMQXXSHGSBFO-UHFFFAOYSA-N
XLogP2.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-5-methyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylpentanamide
CID 141129542
2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid
CID 138054880
carbon dioxide;3-ethyl-2,5-dimethylpyridine
CID 163884675
N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide
CID 162412364
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
CID 62487194
N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
CID 57165481
N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide
CID 10480010
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
3-ethyl-5-[(3-methylphenyl)-diphenylmethyl]pyridine-2-carboxylic acid
CID 21333399
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide?
The IUPAC name of N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide (CID 143155991) is N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide.
What is the SMILES notation for N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide?
The canonical SMILES for N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide is CCC(O)(C(=O)NCc1cc(C)cnc1C)c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide?
The InChIKey is UBZMQXXSHGSBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-18(22,16-8-6-5-7-9-16)17(21)20-12-15-10-13(2)11-19-14(15)3/h5-11,22H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide?
N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide has a molecular weight of 298.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide is sourced from PubChem (CID 143155991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).