(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide

C29H50N4O2 — CID 89056324

IUPAC(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide
SMILESC/C=C\C=C(/C=C/C(=O)NC1CC(C)(C)N(C)C(C)(C)C1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C29H50N4O2/c1-12-13-14-21(25(35)31-23-19-28(6,7)33(11)29(8,9)20-23)15-16-24(34)30-22-17-26(2,3)32(10)27(4,5)18-22/h12-16,22-23H,17-20H2,1-11H3,(H,30,34)(H,31,35)/b13-12-,16-15+,21-14+
InChIKeyDTNPNOOSIFMPCW-SVGRAMASSA-N
MW486.75 g/mol
LogP4.58
Rot. Bonds6

About (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide

(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide (PubChem CID 89056324) has the molecular formula C29H50N4O2 and a molecular weight of 486.75 g/mol. Its IUPAC name is (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide.

Molecular Properties

Compound Name(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide
PubChem CID89056324
Molecular FormulaC29H50N4O2
Molecular Weight486.75 g/mol
Exact Mass486.39
IUPAC Name(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide
SMILESC/C=C\C=C(/C=C/C(=O)NC1CC(C)(C)N(C)C(C)(C)C1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C29H50N4O2/c1-12-13-14-21(25(35)31-23-19-28(6,7)33(11)29(8,9)20-23)15-16-24(34)30-22-17-26(2,3)32(10)27(4,5)18-22/h12-16,22-23H,17-20H2,1-11H3,(H,30,34)(H,31,35)/b13-12-,16-15+,21-14+
InChIKeyDTNPNOOSIFMPCW-SVGRAMASSA-N
XLogP4.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.75
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide?
The IUPAC name of (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide (CID 89056324) is (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide.
What is the SMILES notation for (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide?
The canonical SMILES for (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide is C/C=C\C=C(/C=C/C(=O)NC1CC(C)(C)N(C)C(C)(C)C1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide?
The InChIKey is DTNPNOOSIFMPCW-SVGRAMASSA-N. The full InChI is InChI=1S/C29H50N4O2/c1-12-13-14-21(25(35)31-23-19-28(6,7)33(11)29(8,9)20-23)15-16-24(34)30-22-17-26(2,3)32(10)27(4,5)18-22/h12-16,22-23H,17-20H2,1-11H3,(H,30,34)(H,31,35)/b13-12-,16-15+,21-14+.
What are the key properties of (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide?
(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide has a molecular weight of 486.75 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide is sourced from PubChem (CID 89056324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).