N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide

C13H23N3O3 — CID 44507909

IUPACN'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide
SMILESC=CCC/C=N/NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C13H23N3O3/c1-2-3-8-11-14-15-12(17)9-6-4-5-7-10-13(18)16-19/h2,11,19H,1,3-10H2,(H,15,17)(H,16,18)/b14-11+
InChIKeyHWFVOEODNUEIJQ-SDNWHVSQSA-N
MW269.34 g/mol
LogP1.90
Rot. Bonds11

About N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide

N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide (PubChem CID 44507909) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide
PubChem CID44507909
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide
SMILESC=CCC/C=N/NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C13H23N3O3/c1-2-3-8-11-14-15-12(17)9-6-4-5-7-10-13(18)16-19/h2,11,19H,1,3-10H2,(H,15,17)(H,16,18)/b14-11+
InChIKeyHWFVOEODNUEIJQ-SDNWHVSQSA-N
XLogP1.90
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.90
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide (CID 44507909) is N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide is C=CCC/C=N/NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide?
The InChIKey is HWFVOEODNUEIJQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-3-8-11-14-15-12(17)9-6-4-5-7-10-13(18)16-19/h2,11,19H,1,3-10H2,(H,15,17)(H,16,18)/b14-11+.
What are the key properties of N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide?
N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide has a molecular weight of 269.34 g/mol, XLogP of 1.90, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide is sourced from PubChem (CID 44507909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).