N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide

C27H34N4O6 — CID 89413350

About N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide (PubChem CID 89413350) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide.

Molecular Properties

• Compound Name: N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide
• PubChem CID: 89413350
• Molecular Formula: C27H34N4O6
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.25
• IUPAC Name: N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide
• SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCC3(CN4CCOCC4)CC3)cc2)cc1
• InChI: InChI=1S/C27H34N4O6/c1-28-24(32)23(25(33)29-35)30(2)26(34)21-5-3-19(4-6-21)20-7-9-22(10-8-20)37-18-27(11-12-27)17-31-13-15-36-16-14-31/h3-10,23,35H,11-18H2,1-2H3,(H,28,32)(H,29,33)
• InChIKey: NHQQPPUUSBKESN-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide?

The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide (CID 89413350) is N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide.

What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide?

The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCC3(CN4CCOCC4)CC3)cc2)cc1.

What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide?

The InChIKey is NHQQPPUUSBKESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-28-24(32)23(25(33)29-35)30(2)26(34)21-5-3-19(4-6-21)20-7-9-22(10-8-20)37-18-27(11-12-27)17-31-13-15-36-16-14-31/h3-10,23,35H,11-18H2,1-2H3,(H,28,32)(H,29,33).

What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide?

N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide has a molecular weight of 510.59 g/mol, XLogP of 1.54, 10 rotatable bonds, 3 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-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 89413350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).