2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide

C19H24N2O4 — CID 97356874

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide
SMILESCOc1ccc(CC(=O)NC(C)(C)[C@@H](O)c2ccncc2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-19(2,18(23)14-7-9-20-10-8-14)21-17(22)12-13-5-6-15(24-3)16(11-13)25-4/h5-11,18,23H,12H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyUAYPPZPLKKLRBQ-SFHVURJKSA-N
MW344.41 g/mol
LogP2.27
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide (PubChem CID 97356874) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide
PubChem CID97356874
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide
SMILESCOc1ccc(CC(=O)NC(C)(C)[C@@H](O)c2ccncc2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-19(2,18(23)14-7-9-20-10-8-14)21-17(22)12-13-5-6-15(24-3)16(11-13)25-4/h5-11,18,23H,12H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyUAYPPZPLKKLRBQ-SFHVURJKSA-N
XLogP2.27
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517073
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
CID 95980819
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide (CID 97356874) is 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide is COc1ccc(CC(=O)NC(C)(C)[C@@H](O)c2ccncc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide?
The InChIKey is UAYPPZPLKKLRBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,18(23)14-7-9-20-10-8-14)21-17(22)12-13-5-6-15(24-3)16(11-13)25-4/h5-11,18,23H,12H2,1-4H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide is sourced from PubChem (CID 97356874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).