N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide

C13H22N2O2 — CID 59266736

IUPACN'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H22N2O2/c1-10(2)6-5-7-11(3)8-9-15-13(17)12(16)14-4/h6,8H,5,7,9H2,1-4H3,(H,14,16)(H,15,17)/b11-8+
InChIKeyDHNYFIREDJDUKE-DHZHZOJOSA-N
MW238.33 g/mol
LogP1.54
Rot. Bonds5

About N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide

N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide (PubChem CID 59266736) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
PubChem CID59266736
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H22N2O2/c1-10(2)6-5-7-11(3)8-9-15-13(17)12(16)14-4/h6,8H,5,7,9H2,1-4H3,(H,14,16)(H,15,17)/b11-8+
InChIKeyDHNYFIREDJDUKE-DHZHZOJOSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide?
The IUPAC name of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide (CID 59266736) is N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide.
What is the SMILES notation for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide?
The canonical SMILES for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide is CNC(=O)C(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide?
The InChIKey is DHNYFIREDJDUKE-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)6-5-7-11(3)8-9-15-13(17)12(16)14-4/h6,8H,5,7,9H2,1-4H3,(H,14,16)(H,15,17)/b11-8+.
What are the key properties of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide?
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide has a molecular weight of 238.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide is sourced from PubChem (CID 59266736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).