2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide

C17H30N2O — CID 123416590

IUPAC2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide
SMILESCC=C(C=CCC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-7-9-10-13(8-2)15(20)18-14-11-16(3,4)19-17(5,6)12-14/h8-10,14,19H,7,11-12H2,1-6H3,(H,18,20)
InChIKeyMZMVGOPVXYUOLJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.32
Rot. Bonds4

About 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide

2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide (PubChem CID 123416590) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide.

Molecular Properties

Compound Name2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide
PubChem CID123416590
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide
SMILESCC=C(C=CCC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-7-9-10-13(8-2)15(20)18-14-11-16(3,4)19-17(5,6)12-14/h8-10,14,19H,7,11-12H2,1-6H3,(H,18,20)
InChIKeyMZMVGOPVXYUOLJ-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide?
The IUPAC name of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide (CID 123416590) is 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide.
What is the SMILES notation for 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide?
The canonical SMILES for 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide is CC=C(C=CCC)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide?
The InChIKey is MZMVGOPVXYUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-9-10-13(8-2)15(20)18-14-11-16(3,4)19-17(5,6)12-14/h8-10,14,19H,7,11-12H2,1-6H3,(H,18,20).
What are the key properties of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide?
2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide has a molecular weight of 278.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide is sourced from PubChem (CID 123416590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).