9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C30H39NO4 — CID 126081479

About 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126081479) has the molecular formula C30H39NO4 and a molecular weight of 477.65 g/mol. Its IUPAC name is 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

• Compound Name: 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
• PubChem CID: 126081479
• Molecular Formula: C30H39NO4
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.29
• IUPAC Name: 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
• SMILES: C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC
• InChI: InChI=1S/C30H39NO4/c1-9-11-18-12-19(13-24(34-7)28(18)35-8)25-26-20(14-29(3,4)16-22(26)32)31(10-2)21-15-30(5,6)17-23(33)27(21)25/h9,12-13,25H,1,10-11,14-17H2,2-8H3
• InChIKey: UPTWBURNQGSYFX-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 55.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The IUPAC name of 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 126081479) is 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

What is the SMILES notation for 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The canonical SMILES for 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC.

What is the InChIKey of 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The InChIKey is UPTWBURNQGSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39NO4/c1-9-11-18-12-19(13-24(34-7)28(18)35-8)25-26-20(14-29(3,4)16-22(26)32)31(10-2)21-15-30(5,6)17-23(33)27(21)25/h9,12-13,25H,1,10-11,14-17H2,2-8H3.

What are the key properties of 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 477.65 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126081479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).