N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide

C28H33N5O5 — CID 89413248

About N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide (PubChem CID 89413248) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide.

Molecular Properties

• Compound Name: N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
• PubChem CID: 89413248
• Molecular Formula: C28H33N5O5
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.25
• IUPAC Name: N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
• SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCOc3cccc(NC)c3)cc2)cc1
• InChI: InChI=1S/C28H33N5O5/c1-29-23-6-4-7-24(18-23)38-17-5-16-31-22-14-12-20(13-15-22)19-8-10-21(11-9-19)28(36)33(3)25(26(34)30-2)27(35)32-37/h4,6-15,18,25,29,31,37H,5,16-17H2,1-3H3,(H,30,34)(H,32,35)
• InChIKey: CVXRRAFNEGTIPY-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 132.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide?

The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide (CID 89413248) is N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide.

What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide?

The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCOc3cccc(NC)c3)cc2)cc1.

What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide?

The InChIKey is CVXRRAFNEGTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-29-23-6-4-7-24(18-23)38-17-5-16-31-22-14-12-20(13-15-22)19-8-10-21(11-9-19)28(36)33(3)25(26(34)30-2)27(35)32-37/h4,6-15,18,25,29,31,37H,5,16-17H2,1-3H3,(H,30,34)(H,32,35).

What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide?

N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide has a molecular weight of 519.60 g/mol, XLogP of 2.97, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 89413248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).