N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide

C17H20N2O2 — CID 936563

IUPACN-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C17H20N2O2/c1-14-6-5-8-16(12-14)21-13-17(20)19(2)11-9-15-7-3-4-10-18-15/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyKDWFMYHIJXZKIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide

N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 936563) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID936563
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C17H20N2O2/c1-14-6-5-8-16(12-14)21-13-17(20)19(2)11-9-15-7-3-4-10-18-15/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyKDWFMYHIJXZKIH-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide (CID 936563) is N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide is Cc1cccc(OCC(=O)N(C)CCc2ccccn2)c1.
What is the InChIKey of N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is KDWFMYHIJXZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-6-5-8-16(12-14)21-13-17(20)19(2)11-9-15-7-3-4-10-18-15/h3-8,10,12H,9,11,13H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 936563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).