2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide

C24H24N2O2 — CID 53034040

IUPAC2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2COc3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-18-11-13-20(14-12-18)25-24(27)15-21-17-28-23-10-6-5-9-22(23)26(21)16-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3,(H,25,27)
InChIKeyCMCRTYHFRQTTRG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide

2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 53034040) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID53034040
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2COc3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-18-11-13-20(14-12-18)25-24(27)15-21-17-28-23-10-6-5-9-22(23)26(21)16-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3,(H,25,27)
InChIKeyCMCRTYHFRQTTRG-UHFFFAOYSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide (CID 53034040) is 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2COc3ccccc3N2Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is CMCRTYHFRQTTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-11-13-20(14-12-18)25-24(27)15-21-17-28-23-10-6-5-9-22(23)26(21)16-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3,(H,25,27).
What are the key properties of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide?
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 53034040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).