2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

C29H35N3O2 — CID 133170696

About 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide (PubChem CID 133170696) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
• PubChem CID: 133170696
• Molecular Formula: C29H35N3O2
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.27
• IUPAC Name: 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
• SMILES: Cc1cc2c(cc1/C=N\NC(=O)COc1cccc3ccccc13)C(C)CC(C)(C)N2C(C)C
• InChI: InChI=1S/C29H35N3O2/c1-19(2)32-26-14-20(3)23(15-25(26)21(4)16-29(32,5)6)17-30-31-28(33)18-34-27-13-9-11-22-10-7-8-12-24(22)27/h7-15,17,19,21H,16,18H2,1-6H3,(H,31,33)/b30-17-
• InChIKey: BDZPDTAHAYOCHT-LQNQUEJISA-N
• XLogP: 6.18
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	6.18
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 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The IUPAC name of 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide (CID 133170696) is 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide.

What is the SMILES notation for 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The canonical SMILES for 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide is Cc1cc2c(cc1/C=N\NC(=O)COc1cccc3ccccc13)C(C)CC(C)(C)N2C(C)C.

What is the InChIKey of 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The InChIKey is BDZPDTAHAYOCHT-LQNQUEJISA-N. The full InChI is InChI=1S/C29H35N3O2/c1-19(2)32-26-14-20(3)23(15-25(26)21(4)16-29(32,5)6)17-30-31-28(33)18-34-27-13-9-11-22-10-7-8-12-24(22)27/h7-15,17,19,21H,16,18H2,1-6H3,(H,31,33)/b30-17-.

What are the key properties of 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 457.62 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yloxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 133170696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).