N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide

C30H33N3O2 — CID 50866777

About N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide

N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide (PubChem CID 50866777) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
• PubChem CID: 50866777
• Molecular Formula: C30H33N3O2
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.26
• IUPAC Name: N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
• SMILES: CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2C(C)=CC1(C)C
• InChI: InChI=1S/C30H33N3O2/c1-6-33-28-16-21(2)25(17-27(28)22(3)18-30(33,4)5)19-31-32-29(34)20-35-26-14-12-24(13-15-26)23-10-8-7-9-11-23/h7-19H,6,20H2,1-5H3,(H,32,34)/b31-19+
• InChIKey: MYJANSGFQDLHRH-ZCTHSVRISA-N
• XLogP: 6.21
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	6.21
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-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide?

The IUPAC name of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide (CID 50866777) is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide.

What is the SMILES notation for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide?

The canonical SMILES for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide is CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2C(C)=CC1(C)C.

What is the InChIKey of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide?

The InChIKey is MYJANSGFQDLHRH-ZCTHSVRISA-N. The full InChI is InChI=1S/C30H33N3O2/c1-6-33-28-16-21(2)25(17-27(28)22(3)18-30(33,4)5)19-31-32-29(34)20-35-26-14-12-24(13-15-26)23-10-8-7-9-11-23/h7-19H,6,20H2,1-5H3,(H,32,34)/b31-19+.

What are the key properties of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide?

N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 467.61 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 50866777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).