N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

C24H23BrN2O3 — CID 126172298

About N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 126172298) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
• PubChem CID: 126172298
• Molecular Formula: C24H23BrN2O3
• Molecular Weight: 467.36 g/mol
• Exact Mass: 466.09
• IUPAC Name: N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
• SMILES: Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc4c(c3)CCCC4)o2)c(Br)c1
• InChI: InChI=1S/C24H23BrN2O3/c1-16-6-10-21(22(25)12-16)23-11-9-20(30-23)14-26-27-24(28)15-29-19-8-7-17-4-2-3-5-18(17)13-19/h6-14H,2-5,15H2,1H3,(H,27,28)/b26-14-
• InChIKey: BVANZDOTQRSISO-WGARJPEWSA-N
• XLogP: 5.43
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.36
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?

The IUPAC name of N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 126172298) is N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

What is the SMILES notation for N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?

The canonical SMILES for N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc4c(c3)CCCC4)o2)c(Br)c1.

What is the InChIKey of N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?

The InChIKey is BVANZDOTQRSISO-WGARJPEWSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-16-6-10-21(22(25)12-16)23-11-9-20(30-23)14-26-27-24(28)15-29-19-8-7-17-4-2-3-5-18(17)13-19/h6-14H,2-5,15H2,1H3,(H,27,28)/b26-14-.

What are the key properties of N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?

N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 467.36 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 126172298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).