N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

C24H23N3O3 — CID 55983609

About N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 55983609) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 55983609
• Molecular Formula: C24H23N3O3
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.17
• IUPAC Name: N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)COc2ccccc21
• InChI: InChI=1S/C24H23N3O3/c1-18-7-2-3-9-20(18)15-26(14-19-8-6-12-25-13-19)23(28)16-27-21-10-4-5-11-22(21)30-17-24(27)29/h2-13H,14-17H2,1H3
• InChIKey: AZPFDUXXYJHLJI-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 55983609) is N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)COc2ccccc21.

What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is AZPFDUXXYJHLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-18-7-2-3-9-20(18)15-26(14-19-8-6-12-25-13-19)23(28)16-27-21-10-4-5-11-22(21)30-17-24(27)29/h2-13H,14-17H2,1H3.

What are the key properties of N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?

N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 55983609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).