(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide

C18H32N2O2 — CID 129209911

IUPAC(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)N(CC)CCN(C)C/C=C\C(=C/CC)OC
InChIInChI=1S/C18H32N2O2/c1-7-11-17(22-6)12-10-13-19(5)14-15-20(9-3)18(21)16(4)8-2/h8,10-12H,7,9,13-15H2,1-6H3/b12-10-,16-8+,17-11+
InChIKeyZYKOYJIGQGIFIK-BWERBILRSA-N
MW308.47 g/mol
LogP3.23
Rot. Bonds10

About (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide

(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide (PubChem CID 129209911) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide
PubChem CID129209911
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)N(CC)CCN(C)C/C=C\C(=C/CC)OC
InChIInChI=1S/C18H32N2O2/c1-7-11-17(22-6)12-10-13-19(5)14-15-20(9-3)18(21)16(4)8-2/h8,10-12H,7,9,13-15H2,1-6H3/b12-10-,16-8+,17-11+
InChIKeyZYKOYJIGQGIFIK-BWERBILRSA-N
XLogP3.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide (CID 129209911) is (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)N(CC)CCN(C)C/C=C\C(=C/CC)OC.
What is the InChIKey of (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide?
The InChIKey is ZYKOYJIGQGIFIK-BWERBILRSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-7-11-17(22-6)12-10-13-19(5)14-15-20(9-3)18(21)16(4)8-2/h8,10-12H,7,9,13-15H2,1-6H3/b12-10-,16-8+,17-11+.
What are the key properties of (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide?
(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide has a molecular weight of 308.47 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide is sourced from PubChem (CID 129209911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).