2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide

C23H23N3O4 — CID 563686

IUPAC2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(NC(=O)COc3cccc(C)c3)n2)c1
InChIInChI=1S/C23H23N3O4/c1-16-6-3-8-18(12-16)29-14-22(27)25-20-10-5-11-21(24-20)26-23(28)15-30-19-9-4-7-17(2)13-19/h3-13H,14-15H2,1-2H3,(H2,24,25,26,27,28)
InChIKeySVLSVRFOSWRZOE-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.73
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide

2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide (PubChem CID 563686) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide
PubChem CID563686
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(NC(=O)COc3cccc(C)c3)n2)c1
InChIInChI=1S/C23H23N3O4/c1-16-6-3-8-18(12-16)29-14-22(27)25-20-10-5-11-21(24-20)26-23(28)15-30-19-9-4-7-17(2)13-19/h3-13H,14-15H2,1-2H3,(H2,24,25,26,27,28)
InChIKeySVLSVRFOSWRZOE-UHFFFAOYSA-N
XLogP3.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide (CID 563686) is 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide is Cc1cccc(OCC(=O)Nc2cccc(NC(=O)COc3cccc(C)c3)n2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide?
The InChIKey is SVLSVRFOSWRZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16-6-3-8-18(12-16)29-14-22(27)25-20-10-5-11-21(24-20)26-23(28)15-30-19-9-4-7-17(2)13-19/h3-13H,14-15H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide?
2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide has a molecular weight of 405.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[6-[[2-(3-methylphenoxy)acetyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 563686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).