N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide

C27H53N3O — CID 2846902

IUPACN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN=C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H53N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(31)29-28-24-22-26(2,3)30-27(4,5)23-24/h30H,6-23H2,1-5H3,(H,29,31)
InChIKeyQTUIZXGZCCZPJJ-UHFFFAOYSA-N
MW435.74 g/mol
LogP7.66
Rot. Bonds17

About N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide

N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide (PubChem CID 2846902) has the molecular formula C27H53N3O and a molecular weight of 435.74 g/mol. Its IUPAC name is N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide.

Molecular Properties

Compound NameN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide
PubChem CID2846902
Molecular FormulaC27H53N3O
Molecular Weight435.74 g/mol
Exact Mass435.42
IUPAC NameN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN=C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H53N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(31)29-28-24-22-26(2,3)30-27(4,5)23-24/h30H,6-23H2,1-5H3,(H,29,31)
InChIKeyQTUIZXGZCCZPJJ-UHFFFAOYSA-N
XLogP7.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide?
The IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide (CID 2846902) is N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide.
What is the SMILES notation for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide?
The canonical SMILES for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NN=C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide?
The InChIKey is QTUIZXGZCCZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(31)29-28-24-22-26(2,3)30-27(4,5)23-24/h30H,6-23H2,1-5H3,(H,29,31).
What are the key properties of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide?
N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide has a molecular weight of 435.74 g/mol, XLogP of 7.66, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]octadecanamide is sourced from PubChem (CID 2846902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).