N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide

C22H26N4O7 — CID 89413177

About N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide

N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide (PubChem CID 89413177) has the molecular formula C22H26N4O7 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide
• PubChem CID: 89413177
• Molecular Formula: C22H26N4O7
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.18
• IUPAC Name: N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide
• SMILES: CC(=O)NCCNC(=O)C(NC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1)C(=O)NO
• InChI: InChI=1S/C22H26N4O7/c1-14(28)23-10-11-24-21(30)19(22(31)26-32)25-20(29)17-4-2-15(3-5-17)16-6-8-18(9-7-16)33-13-12-27/h2-9,19,27,32H,10-13H2,1H3,(H,23,28)(H,24,30)(H,25,29)(H,26,31)
• InChIKey: STLDIYZLHBCBPG-UHFFFAOYSA-N
• XLogP: -0.42
• TPSA: 166.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	-0.42
H-Bond Donors ≤ 5	6
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-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide?

The IUPAC name of N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide (CID 89413177) is N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide.

What is the SMILES notation for N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide?

The canonical SMILES for N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide is CC(=O)NCCNC(=O)C(NC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1)C(=O)NO.

What is the InChIKey of N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide?

The InChIKey is STLDIYZLHBCBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O7/c1-14(28)23-10-11-24-21(30)19(22(31)26-32)25-20(29)17-4-2-15(3-5-17)16-6-8-18(9-7-16)33-13-12-27/h2-9,19,27,32H,10-13H2,1H3,(H,23,28)(H,24,30)(H,25,29)(H,26,31).

What are the key properties of N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide?

N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide has a molecular weight of 458.47 g/mol, XLogP of -0.42, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 89413177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).