N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide

C14H25NO2 — CID 54058567

IUPACN,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
SMILESCCN(CC)C(=O)C=C(C)CCC=C(C)CO
InChIInChI=1S/C14H25NO2/c1-5-15(6-2)14(17)10-12(3)8-7-9-13(4)11-16/h9-10,16H,5-8,11H2,1-4H3
InChIKeyLYAAPGKESKPOKG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds7

About N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide

N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide (PubChem CID 54058567) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound NameN,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
PubChem CID54058567
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
SMILESCCN(CC)C(=O)C=C(C)CCC=C(C)CO
InChIInChI=1S/C14H25NO2/c1-5-15(6-2)14(17)10-12(3)8-7-9-13(4)11-16/h9-10,16H,5-8,11H2,1-4H3
InChIKeyLYAAPGKESKPOKG-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide (CID 54058567) is N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide is CCN(CC)C(=O)C=C(C)CCC=C(C)CO.
What is the InChIKey of N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
The InChIKey is LYAAPGKESKPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-15(6-2)14(17)10-12(3)8-7-9-13(4)11-16/h9-10,16H,5-8,11H2,1-4H3.
What are the key properties of N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide has a molecular weight of 239.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 54058567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).