(2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide

C28H41N3O6 — CID 59913884

About (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide

(2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide (PubChem CID 59913884) has the molecular formula C28H41N3O6 and a molecular weight of 515.65 g/mol. Its IUPAC name is (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide.

Molecular Properties

• Compound Name: (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide
• PubChem CID: 59913884
• Molecular Formula: C28H41N3O6
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.30
• IUPAC Name: (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide
• SMILES: CCCO[C@H](C(=O)NO)[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)NOC(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C28H41N3O6/c1-8-15-36-22(25(33)30-35)21(17-18-13-14-19-11-9-10-12-20(19)16-18)24(32)29-23(27(2,3)4)26(34)31-37-28(5,6)7/h9-14,16,21-23,35H,8,15,17H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t21-,22+,23-/m1/s1
• InChIKey: RRDXGACDMZXRGV-XPWALMASSA-N
• XLogP: 3.68
• TPSA: 125.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	3.68
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 (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide?

The IUPAC name of (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide (CID 59913884) is (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide.

What is the SMILES notation for (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide?

The canonical SMILES for (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide is CCCO[C@H](C(=O)NO)[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)NOC(C)(C)C)C(C)(C)C.

What is the InChIKey of (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide?

The InChIKey is RRDXGACDMZXRGV-XPWALMASSA-N. The full InChI is InChI=1S/C28H41N3O6/c1-8-15-36-22(25(33)30-35)21(17-18-13-14-19-11-9-10-12-20(19)16-18)24(32)29-23(27(2,3)4)26(34)31-37-28(5,6)7/h9-14,16,21-23,35H,8,15,17H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t21-,22+,23-/m1/s1.

What are the key properties of (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide?

(2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide has a molecular weight of 515.65 g/mol, XLogP of 3.68, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide is sourced from PubChem (CID 59913884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).