(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

C30H48N2O8 — CID 155607756

About (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (PubChem CID 155607756) has the molecular formula C30H48N2O8 and a molecular weight of 564.72 g/mol. Its IUPAC name is (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

Molecular Properties

• Compound Name: (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
• PubChem CID: 155607756
• Molecular Formula: C30H48N2O8
• Molecular Weight: 564.72 g/mol
• Exact Mass: 564.34
• IUPAC Name: (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
• SMILES: CCCOCCOCCOCCCC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
• InChI: InChI=1S/C30H48N2O8/c1-4-13-37-16-18-39-19-17-38-14-6-8-28(33)27-21-23-9-11-24(12-10-23)40-15-5-7-25(30(35)32-36)26(20-22(2)3)29(34)31-27/h9-12,22,25-27,36H,4-8,13-21H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
• InChIKey: PUSNWQOGFNMQIV-VJGNERBWSA-N
• XLogP: 3.48
• TPSA: 132.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.72
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The IUPAC name of (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (CID 155607756) is (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

What is the SMILES notation for (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The canonical SMILES for (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is CCCOCCOCCOCCCC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1.

What is the InChIKey of (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The InChIKey is PUSNWQOGFNMQIV-VJGNERBWSA-N. The full InChI is InChI=1S/C30H48N2O8/c1-4-13-37-16-18-39-19-17-38-14-6-8-28(33)27-21-23-9-11-24(12-10-23)40-15-5-7-25(30(35)32-36)26(20-22(2)3)29(34)31-27/h9-12,22,25-27,36H,4-8,13-21H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1.

What are the key properties of (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide has a molecular weight of 564.72 g/mol, XLogP of 3.48, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-[4-[2-(2-propoxyethoxy)ethoxy]butanoyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is sourced from PubChem (CID 155607756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).