N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide

C17H20N2O2 — CID 81449728

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
SMILESCC(c1ccccc1O)N(C)C(=O)CCc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-13(15-8-3-4-9-16(15)20)19(2)17(21)11-10-14-7-5-6-12-18-14/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyCJOGMTSMAJISSK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide (PubChem CID 81449728) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
PubChem CID81449728
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
SMILESCC(c1ccccc1O)N(C)C(=O)CCc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-13(15-8-3-4-9-16(15)20)19(2)17(21)11-10-14-7-5-6-12-18-14/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyCJOGMTSMAJISSK-UHFFFAOYSA-N
XLogP2.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 62590459
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
CID 109388299
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 79602844
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
CID 65292237
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 122159923
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
5-methyl-1-pyridin-2-yloctan-3-one
CID 105091398

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide (CID 81449728) is N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide is CC(c1ccccc1O)N(C)C(=O)CCc1ccccn1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
The InChIKey is CJOGMTSMAJISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(15-8-3-4-9-16(15)20)19(2)17(21)11-10-14-7-5-6-12-18-14/h3-9,12-13,20H,10-11H2,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 81449728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).