N,2,3,4,5,6-hexamethylhepta-3,5-dienamide

C13H23NO — CID 3631185

IUPACN,2,3,4,5,6-hexamethylhepta-3,5-dienamide
SMILESCNC(=O)C(C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C13H23NO/c1-8(2)9(3)10(4)11(5)12(6)13(15)14-7/h12H,1-7H3,(H,14,15)
InChIKeyFKDUXRCFUCIEOA-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.06
Rot. Bonds3

About N,2,3,4,5,6-hexamethylhepta-3,5-dienamide

N,2,3,4,5,6-hexamethylhepta-3,5-dienamide (PubChem CID 3631185) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,2,3,4,5,6-hexamethylhepta-3,5-dienamide.

Molecular Properties

Compound NameN,2,3,4,5,6-hexamethylhepta-3,5-dienamide
PubChem CID3631185
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,2,3,4,5,6-hexamethylhepta-3,5-dienamide
SMILESCNC(=O)C(C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C13H23NO/c1-8(2)9(3)10(4)11(5)12(6)13(15)14-7/h12H,1-7H3,(H,14,15)
InChIKeyFKDUXRCFUCIEOA-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,3,4,5,6-hexamethylhepta-3,5-dienamide?
The IUPAC name of N,2,3,4,5,6-hexamethylhepta-3,5-dienamide (CID 3631185) is N,2,3,4,5,6-hexamethylhepta-3,5-dienamide.
What is the SMILES notation for N,2,3,4,5,6-hexamethylhepta-3,5-dienamide?
The canonical SMILES for N,2,3,4,5,6-hexamethylhepta-3,5-dienamide is CNC(=O)C(C)C(C)=C(C)C(C)=C(C)C.
What is the InChIKey of N,2,3,4,5,6-hexamethylhepta-3,5-dienamide?
The InChIKey is FKDUXRCFUCIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)9(3)10(4)11(5)12(6)13(15)14-7/h12H,1-7H3,(H,14,15).
What are the key properties of N,2,3,4,5,6-hexamethylhepta-3,5-dienamide?
N,2,3,4,5,6-hexamethylhepta-3,5-dienamide has a molecular weight of 209.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,5,6-hexamethylhepta-3,5-dienamide is sourced from PubChem (CID 3631185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).