(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide

C14H25NO2 — CID 11230182

IUPAC(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide
SMILESCCCCC/C=C\CC/C=C/C(=O)NCCO
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h6-7,10-11,16H,2-5,8-9,12-13H2,1H3,(H,15,17)/b7-6-,11-10+
InChIKeyJMBJBKXWBZRPAX-JFEAUALZSA-N
MW239.36 g/mol
LogP2.57
Rot. Bonds10

About (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide

(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide (PubChem CID 11230182) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide.

Molecular Properties

Compound Name(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide
PubChem CID11230182
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide
SMILESCCCCC/C=C\CC/C=C/C(=O)NCCO
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h6-7,10-11,16H,2-5,8-9,12-13H2,1H3,(H,15,17)/b7-6-,11-10+
InChIKeyJMBJBKXWBZRPAX-JFEAUALZSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide?
The IUPAC name of (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide (CID 11230182) is (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide.
What is the SMILES notation for (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide?
The canonical SMILES for (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide is CCCCC/C=C\CC/C=C/C(=O)NCCO.
What is the InChIKey of (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide?
The InChIKey is JMBJBKXWBZRPAX-JFEAUALZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h6-7,10-11,16H,2-5,8-9,12-13H2,1H3,(H,15,17)/b7-6-,11-10+.
What are the key properties of (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide?
(2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide has a molecular weight of 239.36 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N-(2-hydroxyethyl)dodeca-2,6-dienamide is sourced from PubChem (CID 11230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).