benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate

C34H36N4O6 — CID 91475428

About benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate

benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate (PubChem CID 91475428) has the molecular formula C34H36N4O6 and a molecular weight of 596.68 g/mol. Its IUPAC name is benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate
• PubChem CID: 91475428
• Molecular Formula: C34H36N4O6
• Molecular Weight: 596.68 g/mol
• Exact Mass: 596.26
• IUPAC Name: benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate
• SMILES: Cc1cc(COc2ccc(C(=O)NC3CCC(N(CC(=O)NO)C(=O)OCc4ccccc4)CC3)cc2)c2ccccc2n1
• InChI: InChI=1S/C34H36N4O6/c1-23-19-26(30-9-5-6-10-31(30)35-23)22-43-29-17-11-25(12-18-29)33(40)36-27-13-15-28(16-14-27)38(20-32(39)37-42)34(41)44-21-24-7-3-2-4-8-24/h2-12,17-19,27-28,42H,13-16,20-22H2,1H3,(H,36,40)(H,37,39)
• InChIKey: CIYZHQMJGOSSQJ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 130.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.68
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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 benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate?

The IUPAC name of benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate (CID 91475428) is benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate.

What is the SMILES notation for benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate?

The canonical SMILES for benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate is Cc1cc(COc2ccc(C(=O)NC3CCC(N(CC(=O)NO)C(=O)OCc4ccccc4)CC3)cc2)c2ccccc2n1.

What is the InChIKey of benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate?

The InChIKey is CIYZHQMJGOSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O6/c1-23-19-26(30-9-5-6-10-31(30)35-23)22-43-29-17-11-25(12-18-29)33(40)36-27-13-15-28(16-14-27)38(20-32(39)37-42)34(41)44-21-24-7-3-2-4-8-24/h2-12,17-19,27-28,42H,13-16,20-22H2,1H3,(H,36,40)(H,37,39).

What are the key properties of benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate?

benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate has a molecular weight of 596.68 g/mol, XLogP of 5.31, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-(hydroxyamino)-2-oxoethyl]-N-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 91475428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).