2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide

C37H46N4O — CID 90667505

About 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide

2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide (PubChem CID 90667505) has the molecular formula C37H46N4O and a molecular weight of 562.80 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide.

Molecular Properties

• Compound Name: 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
• PubChem CID: 90667505
• Molecular Formula: C37H46N4O
• Molecular Weight: 562.80 g/mol
• Exact Mass: 562.37
• IUPAC Name: 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
• SMILES: Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1C
• InChI: InChI=1S/C37H46N4O/c1-27-17-16-24-32(28(27)2)40-35-23-13-10-20-31(35)37(42)39-26-15-7-5-3-4-6-14-25-38-36-29-18-8-11-21-33(29)41-34-22-12-9-19-30(34)36/h8,10-11,13,16-18,20-21,23-24,40H,3-7,9,12,14-15,19,22,25-26H2,1-2H3,(H,38,41)(H,39,42)
• InChIKey: FHUVJFQMWJHJJK-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 66.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.80
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?

The IUPAC name of 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide (CID 90667505) is 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide.

What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?

The canonical SMILES for 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide is Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1C.

What is the InChIKey of 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?

The InChIKey is FHUVJFQMWJHJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N4O/c1-27-17-16-24-32(28(27)2)40-35-23-13-10-20-31(35)37(42)39-26-15-7-5-3-4-6-14-25-38-36-29-18-8-11-21-33(29)41-34-22-12-9-19-30(34)36/h8,10-11,13,16-18,20-21,23-24,40H,3-7,9,12,14-15,19,22,25-26H2,1-2H3,(H,38,41)(H,39,42).

What are the key properties of 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?

2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide has a molecular weight of 562.80 g/mol, XLogP of 9.05, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide is sourced from PubChem (CID 90667505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).