N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide

C18H22N2O3 — CID 111784865

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(CO)Cc2ccccn2)c1
InChIInChI=1S/C18H22N2O3/c1-14-5-4-7-17(9-14)23-13-18(22)20-11-15(12-21)10-16-6-2-3-8-19-16/h2-9,15,21H,10-13H2,1H3,(H,20,22)
InChIKeyQEMIHVPJJAEDME-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide (PubChem CID 111784865) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
PubChem CID111784865
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(CO)Cc2ccccn2)c1
InChIInChI=1S/C18H22N2O3/c1-14-5-4-7-17(9-14)23-13-18(22)20-11-15(12-21)10-16-6-2-3-8-19-16/h2-9,15,21H,10-13H2,1H3,(H,20,22)
InChIKeyQEMIHVPJJAEDME-UHFFFAOYSA-N
XLogP1.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 166192889
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
CID 111784445

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide (CID 111784865) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC(CO)Cc2ccccn2)c1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is QEMIHVPJJAEDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-5-4-7-17(9-14)23-13-18(22)20-11-15(12-21)10-16-6-2-3-8-19-16/h2-9,15,21H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 111784865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).