(2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide

C14H23NO2 — CID 24977748

IUPAC(2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide
SMILESCON(C)C(=O)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H23NO2/c1-12(2)8-6-9-13(3)10-7-11-14(16)15(4)17-5/h7-8,10-11H,6,9H2,1-5H3/b11-7+,13-10+
InChIKeyJNJVVYYTJOMYPQ-JPTKLRQTSA-N
MW237.34 g/mol
LogP3.26
Rot. Bonds6

About (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide

(2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide (PubChem CID 24977748) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide
PubChem CID24977748
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide
SMILESCON(C)C(=O)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H23NO2/c1-12(2)8-6-9-13(3)10-7-11-14(16)15(4)17-5/h7-8,10-11H,6,9H2,1-5H3/b11-7+,13-10+
InChIKeyJNJVVYYTJOMYPQ-JPTKLRQTSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', '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,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide?
The IUPAC name of (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide (CID 24977748) is (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide is CON(C)C(=O)/C=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide?
The InChIKey is JNJVVYYTJOMYPQ-JPTKLRQTSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)8-6-9-13(3)10-7-11-14(16)15(4)17-5/h7-8,10-11H,6,9H2,1-5H3/b11-7+,13-10+.
What are the key properties of (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide?
(2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide has a molecular weight of 237.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methoxy-N,5,9-trimethyldeca-2,4,8-trienamide is sourced from PubChem (CID 24977748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).