(2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide

C12H21NO2 — CID 14418367

IUPAC(2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide
SMILESCON(C)C(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21NO2/c1-10(2)7-6-8-11(3)9-12(14)13(4)15-5/h7,9H,6,8H2,1-5H3/b11-9+
InChIKeyKLWKQJGISOJCFA-PKNBQFBNSA-N
MW211.30 g/mol
LogP2.70
Rot. Bonds5

About (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide

(2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide (PubChem CID 14418367) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide
PubChem CID14418367
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide
SMILESCON(C)C(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21NO2/c1-10(2)7-6-8-11(3)9-12(14)13(4)15-5/h7,9H,6,8H2,1-5H3/b11-9+
InChIKeyKLWKQJGISOJCFA-PKNBQFBNSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.70
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide?
The IUPAC name of (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide (CID 14418367) is (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide.
What is the SMILES notation for (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide?
The canonical SMILES for (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide is CON(C)C(=O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide?
The InChIKey is KLWKQJGISOJCFA-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)7-6-8-11(3)9-12(14)13(4)15-5/h7,9H,6,8H2,1-5H3/b11-9+.
What are the key properties of (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide?
(2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide has a molecular weight of 211.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methoxy-N,3,7-trimethylocta-2,6-dienamide is sourced from PubChem (CID 14418367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).