(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide

C26H44N2O2 — CID 21297962

IUPAC(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NC(C)N1CCOCC1
InChIInChI=1S/C26H44N2O2/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)20-26(29)27-25(6)28-16-18-30-19-17-28/h10,12,14,20,25H,7-9,11,13,15-19H2,1-6H3,(H,27,29)/b22-12+,23-14+,24-20+
InChIKeyGKKVNBYSKZMERC-AIMTVMDNSA-N
MW416.65 g/mol
LogP5.93
Rot. Bonds12

About (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide (PubChem CID 21297962) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
PubChem CID21297962
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC Name(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NC(C)N1CCOCC1
InChIInChI=1S/C26H44N2O2/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)20-26(29)27-25(6)28-16-18-30-19-17-28/h10,12,14,20,25H,7-9,11,13,15-19H2,1-6H3,(H,27,29)/b22-12+,23-14+,24-20+
InChIKeyGKKVNBYSKZMERC-AIMTVMDNSA-N
XLogP5.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 55.93
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 (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide (CID 21297962) is (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NC(C)N1CCOCC1.
What is the InChIKey of (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
The InChIKey is GKKVNBYSKZMERC-AIMTVMDNSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)20-26(29)27-25(6)28-16-18-30-19-17-28/h10,12,14,20,25H,7-9,11,13,15-19H2,1-6H3,(H,27,29)/b22-12+,23-14+,24-20+.
What are the key properties of (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide has a molecular weight of 416.65 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 21297962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).