N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide

C25H24N2O2 — CID 46099522

About N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide

N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide (PubChem CID 46099522) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
• PubChem CID: 46099522
• Molecular Formula: C25H24N2O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.18
• IUPAC Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
• SMILES: Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)Cc2ccccc2)cc1
• InChI: InChI=1S/C25H24N2O2/c1-18-8-11-21(12-9-18)16-27(25(28)15-20-6-4-3-5-7-20)17-24-26-22-14-19(2)10-13-23(22)29-24/h3-14H,15-17H2,1-2H3
• InChIKey: JTJMODCZLFZPQP-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide (CID 46099522) is N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide.

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

The canonical SMILES for N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide is Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)Cc2ccccc2)cc1.

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

The InChIKey is JTJMODCZLFZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-8-11-21(12-9-18)16-27(25(28)15-20-6-4-3-5-7-20)17-24-26-22-14-19(2)10-13-23(22)29-24/h3-14H,15-17H2,1-2H3.

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

N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide has a molecular weight of 384.48 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 46099522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).