(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C26H46N2O — CID 14129842

IUPAC(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCCN(CC)CCNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H46N2O/c1-8-28(9-2)20-19-27-26(29)21-25(7)18-12-17-24(6)16-11-15-23(5)14-10-13-22(3)4/h13,15,17,21H,8-12,14,16,18-20H2,1-7H3,(H,27,29)/b23-15+,24-17+,25-21+
InChIKeyBOYJXQBVOYBPST-UPCFISKHSA-N
MW402.67 g/mol
LogP6.59
Rot. Bonds15

About (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 14129842) has the molecular formula C26H46N2O and a molecular weight of 402.67 g/mol. Its IUPAC name is (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID14129842
Molecular FormulaC26H46N2O
Molecular Weight402.67 g/mol
Exact Mass402.36
IUPAC Name(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCCN(CC)CCNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H46N2O/c1-8-28(9-2)20-19-27-26(29)21-25(7)18-12-17-24(6)16-11-15-23(5)14-10-13-22(3)4/h13,15,17,21H,8-12,14,16,18-20H2,1-7H3,(H,27,29)/b23-15+,24-17+,25-21+
InChIKeyBOYJXQBVOYBPST-UPCFISKHSA-N
XLogP6.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 14129842) is (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is CCN(CC)CCNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is BOYJXQBVOYBPST-UPCFISKHSA-N. The full InChI is InChI=1S/C26H46N2O/c1-8-28(9-2)20-19-27-26(29)21-25(7)18-12-17-24(6)16-11-15-23(5)14-10-13-22(3)4/h13,15,17,21H,8-12,14,16,18-20H2,1-7H3,(H,27,29)/b23-15+,24-17+,25-21+.
What are the key properties of (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 402.67 g/mol, XLogP of 6.59, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 14129842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).