2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide

C21H20N2O3 — CID 4827681

IUPAC2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cn1
InChIInChI=1S/C21H20N2O3/c1-25-21-12-11-18(14-22-21)23-20(24)15-26-19-10-6-5-9-17(19)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyCQEKRZPZQKITNB-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.70
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide

2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 4827681) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID4827681
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cn1
InChIInChI=1S/C21H20N2O3/c1-25-21-12-11-18(14-22-21)23-20(24)15-26-19-10-6-5-9-17(19)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyCQEKRZPZQKITNB-UHFFFAOYSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide (CID 4827681) is 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cn1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is CQEKRZPZQKITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-21-12-11-18(14-22-21)23-20(24)15-26-19-10-6-5-9-17(19)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,24).
What are the key properties of 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide?
2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 4827681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).