N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide

C25H26N2O2 — CID 5008287

About N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide

N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide (PubChem CID 5008287) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide
• PubChem CID: 5008287
• Molecular Formula: C25H26N2O2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.20
• IUPAC Name: N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide
• SMILES: Cc1ccc(CNC(=O)Cn2c3c(c(-c4ccccc4)cc2=O)CCCC3)cc1
• InChI: InChI=1S/C25H26N2O2/c1-18-11-13-19(14-12-18)16-26-24(28)17-27-23-10-6-5-9-21(23)22(15-25(27)29)20-7-3-2-4-8-20/h2-4,7-8,11-15H,5-6,9-10,16-17H2,1H3,(H,26,28)
• InChIKey: SYEGSWZGCJATPS-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide?

The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide (CID 5008287) is N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide.

What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide?

The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide is Cc1ccc(CNC(=O)Cn2c3c(c(-c4ccccc4)cc2=O)CCCC3)cc1.

What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide?

The InChIKey is SYEGSWZGCJATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-11-13-19(14-12-18)16-26-24(28)17-27-23-10-6-5-9-21(23)22(15-25(27)29)20-7-3-2-4-8-20/h2-4,7-8,11-15H,5-6,9-10,16-17H2,1H3,(H,26,28).

What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide?

N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide is sourced from PubChem (CID 5008287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).