N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide

C11H19N3O3 — CID 44507768

IUPACN'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide
SMILESC/C=C(C)\C=N\NC(=O)CCCCC(=O)NO
InChIInChI=1S/C11H19N3O3/c1-3-9(2)8-12-13-10(15)6-4-5-7-11(16)14-17/h3,8,17H,4-7H2,1-2H3,(H,13,15)(H,14,16)/b9-3-,12-8+
InChIKeyFXCGTLDPDPLGQM-WRSRVNEOSA-N
MW241.29 g/mol
LogP1.12
Rot. Bonds7

About N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide

N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide (PubChem CID 44507768) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide
PubChem CID44507768
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide
SMILESC/C=C(C)\C=N\NC(=O)CCCCC(=O)NO
InChIInChI=1S/C11H19N3O3/c1-3-9(2)8-12-13-10(15)6-4-5-7-11(16)14-17/h3,8,17H,4-7H2,1-2H3,(H,13,15)(H,14,16)/b9-3-,12-8+
InChIKeyFXCGTLDPDPLGQM-WRSRVNEOSA-N
XLogP1.12
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide (CID 44507768) is N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide is C/C=C(C)\C=N\NC(=O)CCCCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide?
The InChIKey is FXCGTLDPDPLGQM-WRSRVNEOSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-9(2)8-12-13-10(15)6-4-5-7-11(16)14-17/h3,8,17H,4-7H2,1-2H3,(H,13,15)(H,14,16)/b9-3-,12-8+.
What are the key properties of N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide?
N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide has a molecular weight of 241.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide is sourced from PubChem (CID 44507768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).