N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide

C28H32N4O5 — CID 142087428

About N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 142087428) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
• PubChem CID: 142087428
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
• SMILES: CC(=O)NC1CCC(CC(=O)NO)(NC(=O)c2ccccc2OCc2cc(C)nc3ccccc23)CC1
• InChI: InChI=1S/C28H32N4O5/c1-18-15-20(22-7-3-5-9-24(22)29-18)17-37-25-10-6-4-8-23(25)27(35)31-28(16-26(34)32-36)13-11-21(12-14-28)30-19(2)33/h3-10,15,21,36H,11-14,16-17H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)
• InChIKey: PDJGUOVUKFVZHZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 129.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?

The IUPAC name of N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 142087428) is N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?

The canonical SMILES for N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide is CC(=O)NC1CCC(CC(=O)NO)(NC(=O)c2ccccc2OCc2cc(C)nc3ccccc23)CC1.

What is the InChIKey of N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?

The InChIKey is PDJGUOVUKFVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-18-15-20(22-7-3-5-9-24(22)29-18)17-37-25-10-6-4-8-23(25)27(35)31-28(16-26(34)32-36)13-11-21(12-14-28)30-19(2)33/h3-10,15,21,36H,11-14,16-17H2,1-2H3,(H,30,33)(H,31,35)(H,32,34).

What are the key properties of N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?

N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 504.59 g/mol, XLogP of 3.57, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 142087428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).