N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide

C15H24N2O3 — CID 123635058

IUPACN-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
SMILESC=CC(=CC=CC)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C15H24N2O3/c1-3-5-10-13(4-2)16-14(18)11-8-6-7-9-12-15(19)17-20/h3-5,10,20H,2,6-9,11-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyLUBHVGZZLVYDJZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds10

About N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide

N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide (PubChem CID 123635058) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
PubChem CID123635058
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
SMILESC=CC(=CC=CC)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C15H24N2O3/c1-3-5-10-13(4-2)16-14(18)11-8-6-7-9-12-15(19)17-20/h3-5,10,20H,2,6-9,11-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyLUBHVGZZLVYDJZ-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(cyclobutadienyl)tetradecanamide
CID 68365184
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
CID 88613344
N'-hydroxy-N-prop-1-en-2-yloctanediamide
CID 88928974
N'-hydroxy-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]octanediamide
CID 88945245
N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide
CID 88968709
N-cyclohepta-1,3,6-trien-1-yl-N'-hydroxyoctanediamide
CID 89990895
N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
CID 123284208
N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide
CID 123970780
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
CID 126554359
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
CID 142895284
N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide
CID 143666608
N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide
CID 143808410

Frequently Asked Questions

What is the IUPAC name of N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide?
The IUPAC name of N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide (CID 123635058) is N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide.
What is the SMILES notation for N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide?
The canonical SMILES for N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide is C=CC(=CC=CC)NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide?
The InChIKey is LUBHVGZZLVYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-10-13(4-2)16-14(18)11-8-6-7-9-12-15(19)17-20/h3-5,10,20H,2,6-9,11-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide?
N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide has a molecular weight of 280.37 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide is sourced from PubChem (CID 123635058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).