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

C25H24N2O2 — CID 46099521

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

3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46099521) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• PubChem CID: 46099521
• Molecular Formula: C25H24N2O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.18
• IUPAC Name: 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• SMILES: Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(C)c2)cc1
• InChI: InChI=1S/C25H24N2O2/c1-17-7-10-20(11-8-17)15-27(25(28)21-6-4-5-18(2)13-21)16-24-26-22-14-19(3)9-12-23(22)29-24/h4-14H,15-16H2,1-3H3
• InChIKey: XBVYAEKIAIUORJ-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 46099521) is 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

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

The canonical SMILES for 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(C)c2)cc1.

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

The InChIKey is XBVYAEKIAIUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-7-10-20(11-8-17)15-27(25(28)21-6-4-5-18(2)13-21)16-24-26-22-14-19(3)9-12-23(22)29-24/h4-14H,15-16H2,1-3H3.

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

3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46099521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).