(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide

C14H28N2O4 — CID 59902233

IUPAC(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-5-6-7-11(8-16(20)10-18)13(19)15-12(9-17)14(2,3)4/h10-12,17,20H,5-9H2,1-4H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyMIBOPHZAFNQXGI-VXGBXAGGSA-N
MW288.39 g/mol
LogP1.16
Rot. Bonds9

About (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide

(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide (PubChem CID 59902233) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide.

Molecular Properties

Compound Name(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide
PubChem CID59902233
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-5-6-7-11(8-16(20)10-18)13(19)15-12(9-17)14(2,3)4/h10-12,17,20H,5-9H2,1-4H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyMIBOPHZAFNQXGI-VXGBXAGGSA-N
XLogP1.16
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide?
The IUPAC name of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide (CID 59902233) is (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide.
What is the SMILES notation for (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide?
The canonical SMILES for (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide is CCCC[C@H](CN(O)C=O)C(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide?
The InChIKey is MIBOPHZAFNQXGI-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-6-7-11(8-16(20)10-18)13(19)15-12(9-17)14(2,3)4/h10-12,17,20H,5-9H2,1-4H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide?
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide has a molecular weight of 288.39 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide is sourced from PubChem (CID 59902233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).