(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

C24H33F3N4O6 — CID 10143180

IUPAC(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(F)(F)F)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H33F3N4O6/c1-14(2)10-18-17(22(34)31-36)4-3-9-37-16-7-5-15(6-8-16)11-19(30-21(18)33)23(35)28-12-20(32)29-13-24(25,26)27/h5-8,14,17-19,36H,3-4,9-13H2,1-2H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34)/t17-,18+,19-/m0/s1
InChIKeyFKXCWQZPUJRQQO-OTWHNJEPSA-N
MW530.54 g/mol
LogP1.47
Rot. Bonds7

About (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide (PubChem CID 10143180) has the molecular formula C24H33F3N4O6 and a molecular weight of 530.54 g/mol. Its IUPAC name is (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide.

Molecular Properties

Compound Name(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
PubChem CID10143180
Molecular FormulaC24H33F3N4O6
Molecular Weight530.54 g/mol
Exact Mass530.24
IUPAC Name(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(F)(F)F)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H33F3N4O6/c1-14(2)10-18-17(22(34)31-36)4-3-9-37-16-7-5-15(6-8-16)11-19(30-21(18)33)23(35)28-12-20(32)29-13-24(25,26)27/h5-8,14,17-19,36H,3-4,9-13H2,1-2H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34)/t17-,18+,19-/m0/s1
InChIKeyFKXCWQZPUJRQQO-OTWHNJEPSA-N
XLogP1.47
TPSA145.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.54
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?
The IUPAC name of (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide (CID 10143180) is (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide.
What is the SMILES notation for (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?
The canonical SMILES for (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(F)(F)F)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO.
What is the InChIKey of (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?
The InChIKey is FKXCWQZPUJRQQO-OTWHNJEPSA-N. The full InChI is InChI=1S/C24H33F3N4O6/c1-14(2)10-18-17(22(34)31-36)4-3-9-37-16-7-5-15(6-8-16)11-19(30-21(18)33)23(35)28-12-20(32)29-13-24(25,26)27/h5-8,14,17-19,36H,3-4,9-13H2,1-2H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34)/t17-,18+,19-/m0/s1.
What are the key properties of (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?
(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide has a molecular weight of 530.54 g/mol, XLogP of 1.47, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide is sourced from PubChem (CID 10143180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).