N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide

C15H24N2O3 — CID 88613344

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
SMILESC=C/C(=C\C=C/C)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)/b5-3-,13-10+
InChIKeyLUBHVGZZLVYDJZ-MLJFPUFMSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds10

About N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide (PubChem CID 88613344) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
PubChem CID88613344
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
SMILESC=C/C(=C\C=C/C)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)/b5-3-,13-10+
InChIKeyLUBHVGZZLVYDJZ-MLJFPUFMSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide (CID 88613344) is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide is C=C/C(=C\C=C/C)NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide?
The InChIKey is LUBHVGZZLVYDJZ-MLJFPUFMSA-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)/b5-3-,13-10+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide?
N-[(3E,5Z)-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-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 88613344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).