2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

C25H24N2O3 — CID 54858831

About 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54858831) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• PubChem CID: 54858831
• Molecular Formula: C25H24N2O3
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.18
• IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• SMILES: Cc1cc(C)cc(OCC(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)c1
• InChI: InChI=1S/C25H24N2O3/c1-16-4-9-23-22(13-16)27-25(30-23)14-19-5-7-20(8-6-19)26-24(28)15-29-21-11-17(2)10-18(3)12-21/h4-13H,14-15H2,1-3H3,(H,26,28)
• InChIKey: BDLFKQKGAVULAP-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54858831) is 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)c1.

What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The InChIKey is BDLFKQKGAVULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16-4-9-23-22(13-16)27-25(30-23)14-19-5-7-20(8-6-19)26-24(28)15-29-21-11-17(2)10-18(3)12-21/h4-13H,14-15H2,1-3H3,(H,26,28).

What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54858831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).