(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide

C17H29NO2 — CID 46230684

IUPAC(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NO
InChIInChI=1S/C17H29NO2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(19)18-20/h8,10,12,20H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
InChIKeyQEEINHNRRXMAMJ-NCZFFCEISA-N
MW279.42 g/mol
LogP4.69
Rot. Bonds9

About (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide

(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide (PubChem CID 46230684) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide.

Molecular Properties

Compound Name(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide
PubChem CID46230684
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NO
InChIInChI=1S/C17H29NO2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(19)18-20/h8,10,12,20H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
InChIKeyQEEINHNRRXMAMJ-NCZFFCEISA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy arachidonoyl amine
CID 5283414
Arachidonate hydroxamic acid
CID 6439861
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienamide
CID 46230683
Farnesylacetamide
CID 57191042
Diathylallylacetamid
CID 71431548
(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide
CID 20281003
(5Z,8Z,11Z,14Z,17Z)-N-hydroxyicosa-5,8,11,14,17-pentaenamide
CID 13579829
5-Nonenohydroxamic acid
CID 129774624
(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide
CID 121010680
N-hydroxy-5,9-dimethyldeca-4,8-dienamide
CID 131876510
N-hydroxyicosa-5,8,11,14-tetraenamide
CID 145968
(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide
CID 18598172

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide?
The IUPAC name of (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide (CID 46230684) is (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide.
What is the SMILES notation for (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide?
The canonical SMILES for (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NO.
What is the InChIKey of (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide?
The InChIKey is QEEINHNRRXMAMJ-NCZFFCEISA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(19)18-20/h8,10,12,20H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+.
What are the key properties of (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide?
(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide has a molecular weight of 279.42 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide is sourced from PubChem (CID 46230684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).