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

C16H18N2O2 — CID 4784838

IUPAC2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H18N2O2/c1-13-5-4-7-15(11-13)20-12-16(19)18-10-8-14-6-2-3-9-17-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeyURZPEFWWMBBARV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.13
Rot. Bonds6

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

2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 4784838) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID4784838
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H18N2O2/c1-13-5-4-7-15(11-13)20-12-16(19)18-10-8-14-6-2-3-9-17-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeyURZPEFWWMBBARV-UHFFFAOYSA-N
XLogP2.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide (CID 4784838) is 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide is Cc1cccc(OCC(=O)NCCc2ccccn2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is URZPEFWWMBBARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-5-4-7-15(11-13)20-12-16(19)18-10-8-14-6-2-3-9-17-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19).
What are the key properties of 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 4784838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).