(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide

C14H23NO2 — CID 11276439

IUPAC(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide
SMILESC/C=C/C=C/CCCC/C=C/C(=O)N(C)OC
InChIInChI=1S/C14H23NO2/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)17-3/h4-7,12-13H,8-11H2,1-3H3/b5-4+,7-6+,13-12+
InChIKeyZAJNSKHAJPOPLQ-YAPKZDNLSA-N
MW237.34 g/mol
LogP3.26
Rot. Bonds8

About (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide

(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide (PubChem CID 11276439) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide.

Molecular Properties

Compound Name(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide
PubChem CID11276439
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide
SMILESC/C=C/C=C/CCCC/C=C/C(=O)N(C)OC
InChIInChI=1S/C14H23NO2/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)17-3/h4-7,12-13H,8-11H2,1-3H3/b5-4+,7-6+,13-12+
InChIKeyZAJNSKHAJPOPLQ-YAPKZDNLSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide?
The IUPAC name of (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide (CID 11276439) is (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide.
What is the SMILES notation for (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide?
The canonical SMILES for (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide is C/C=C/C=C/CCCC/C=C/C(=O)N(C)OC.
What is the InChIKey of (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide?
The InChIKey is ZAJNSKHAJPOPLQ-YAPKZDNLSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)17-3/h4-7,12-13H,8-11H2,1-3H3/b5-4+,7-6+,13-12+.
What are the key properties of (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide?
(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide has a molecular weight of 237.34 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide is sourced from PubChem (CID 11276439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).