N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide

C14H22N2O — CID 167260538

IUPACN-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide
SMILESC=C/C(=C\C(C=C)=C(/CC)N(C)C(C)=O)NC
InChIInChI=1S/C14H22N2O/c1-7-12(10-13(8-2)15-5)14(9-3)16(6)11(4)17/h7-8,10,15H,1-2,9H2,3-6H3/b13-10+,14-12+
InChIKeyOGVSKXXWUZJGFH-ADWQEOMMSA-N
MW234.34 g/mol
LogP2.60
Rot. Bonds6

About N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide

N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide (PubChem CID 167260538) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide
PubChem CID167260538
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide
SMILESC=C/C(=C\C(C=C)=C(/CC)N(C)C(C)=O)NC
InChIInChI=1S/C14H22N2O/c1-7-12(10-13(8-2)15-5)14(9-3)16(6)11(4)17/h7-8,10,15H,1-2,9H2,3-6H3/b13-10+,14-12+
InChIKeyOGVSKXXWUZJGFH-ADWQEOMMSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide (CID 167260538) is N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide is C=C/C(=C\C(C=C)=C(/CC)N(C)C(C)=O)NC.
What is the InChIKey of N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide?
The InChIKey is OGVSKXXWUZJGFH-ADWQEOMMSA-N. The full InChI is InChI=1S/C14H22N2O/c1-7-12(10-13(8-2)15-5)14(9-3)16(6)11(4)17/h7-8,10,15H,1-2,9H2,3-6H3/b13-10+,14-12+.
What are the key properties of N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide?
N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide is sourced from PubChem (CID 167260538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).