(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

C19H35N3O4 — CID 122408081

IUPAC(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCC[C@@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H35N3O4/c1-5-6-10-15(13-22(26)14-23)17(24)20-16(19(2,3)4)18(25)21-11-8-7-9-12-21/h14-16,26H,5-13H2,1-4H3,(H,20,24)/t15-,16+/m0/s1
InChIKeyLUUWHMFSUQYFLW-JKSUJKDBSA-N
MW369.51 g/mol
LogP2.18
Rot. Bonds9

About (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (PubChem CID 122408081) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
PubChem CID122408081
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCC[C@@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H35N3O4/c1-5-6-10-15(13-22(26)14-23)17(24)20-16(19(2,3)4)18(25)21-11-8-7-9-12-21/h14-16,26H,5-13H2,1-4H3,(H,20,24)/t15-,16+/m0/s1
InChIKeyLUUWHMFSUQYFLW-JKSUJKDBSA-N
XLogP2.18
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
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 (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (CID 122408081) is (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.
What is the SMILES notation for (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The canonical SMILES for (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is CCCC[C@@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The InChIKey is LUUWHMFSUQYFLW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-5-6-10-15(13-22(26)14-23)17(24)20-16(19(2,3)4)18(25)21-11-8-7-9-12-21/h14-16,26H,5-13H2,1-4H3,(H,20,24)/t15-,16+/m0/s1.
What are the key properties of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide has a molecular weight of 369.51 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is sourced from PubChem (CID 122408081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).