9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C34H47NO5 — CID 126072683

About 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126072683) has the molecular formula C34H47NO5 and a molecular weight of 549.75 g/mol. Its IUPAC name is 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

• Compound Name: 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
• PubChem CID: 126072683
• Molecular Formula: C34H47NO5
• Molecular Weight: 549.75 g/mol
• Exact Mass: 549.35
• IUPAC Name: 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-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(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC
• InChI: InChI=1S/C34H47NO5/c1-9-12-22-16-23(17-28(39-8)32(22)40-14-10-2)29-30-24(18-33(3,4)20-26(30)36)35(13-11-15-38-7)25-19-34(5,6)21-27(37)31(25)29/h9,16-17,29H,1,10-15,18-21H2,2-8H3
• InChIKey: KZGTWCSJDJRKGW-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 65.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.75
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The IUPAC name of 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 126072683) is 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

What is the SMILES notation for 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The canonical SMILES for 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-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(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC.

What is the InChIKey of 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

The InChIKey is KZGTWCSJDJRKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47NO5/c1-9-12-22-16-23(17-28(39-8)32(22)40-14-10-2)29-30-24(18-33(3,4)20-26(30)36)35(13-11-15-38-7)25-19-34(5,6)21-27(37)31(25)29/h9,16-17,29H,1,10-15,18-21H2,2-8H3.

What are the key properties of 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?

9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 549.75 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126072683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).