3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide

C26H44N2O2 — CID 54345373

IUPAC3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN1CCOCC1
InChIInChI=1S/C26H44N2O2/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)21-26(29)27-15-16-28-17-19-30-20-18-28/h9,11,13,21H,6-8,10,12,14-20H2,1-5H3,(H,27,29)
InChIKeyUBYLKSJQHXKICG-UHFFFAOYSA-N
MW416.65 g/mol
LogP5.58
Rot. Bonds13

About 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide

3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide (PubChem CID 54345373) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
PubChem CID54345373
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC Name3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN1CCOCC1
InChIInChI=1S/C26H44N2O2/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)21-26(29)27-15-16-28-17-19-30-20-18-28/h9,11,13,21H,6-8,10,12,14-20H2,1-5H3,(H,27,29)
InChIKeyUBYLKSJQHXKICG-UHFFFAOYSA-N
XLogP5.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
The IUPAC name of 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide (CID 54345373) is 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN1CCOCC1.
What is the InChIKey of 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
The InChIKey is UBYLKSJQHXKICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)21-26(29)27-15-16-28-17-19-30-20-18-28/h9,11,13,21H,6-8,10,12,14-20H2,1-5H3,(H,27,29).
What are the key properties of 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide has a molecular weight of 416.65 g/mol, XLogP of 5.58, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 54345373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).