(2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide

C13H23NO2 — CID 75366827

IUPAC(2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide
SMILESCON(C)C(=O)/C=C/C(C)CCC=C(C)C
InChIInChI=1S/C13H23NO2/c1-11(2)7-6-8-12(3)9-10-13(15)14(4)16-5/h7,9-10,12H,6,8H2,1-5H3/b10-9+
InChIKeyNDIWFAPLPTUGNF-MDZDMXLPSA-N
MW225.33 g/mol
LogP2.94
Rot. Bonds6

About (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide

(2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide (PubChem CID 75366827) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide.

Molecular Properties

Compound Name(2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide
PubChem CID75366827
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide
SMILESCON(C)C(=O)/C=C/C(C)CCC=C(C)C
InChIInChI=1S/C13H23NO2/c1-11(2)7-6-8-12(3)9-10-13(15)14(4)16-5/h7,9-10,12H,6,8H2,1-5H3/b10-9+
InChIKeyNDIWFAPLPTUGNF-MDZDMXLPSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.94
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,4,8-trimethylnona-2,7-dienamide?
The IUPAC name of (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide (CID 75366827) is (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide.
What is the SMILES notation for (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide?
The canonical SMILES for (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide is CON(C)C(=O)/C=C/C(C)CCC=C(C)C.
What is the InChIKey of (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide?
The InChIKey is NDIWFAPLPTUGNF-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)7-6-8-12(3)9-10-13(15)14(4)16-5/h7,9-10,12H,6,8H2,1-5H3/b10-9+.
What are the key properties of (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide?
(2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide has a molecular weight of 225.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methoxy-N,4,8-trimethylnona-2,7-dienamide is sourced from PubChem (CID 75366827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).