(6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

C23H41NO2 — CID 88642400

IUPAC(6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCCC(O)NC(=O)CC(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H41NO2/c1-7-22(25)24-23(26)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15,21-22,25H,7-10,12,14,16-17H2,1-6H3,(H,24,26)/b19-13+,20-15+
InChIKeyBIIJEBGKLZZNPU-YLYRKCBPSA-N
MW363.59 g/mol
LogP6.06
Rot. Bonds13

About (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

(6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (PubChem CID 88642400) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

Molecular Properties

Compound Name(6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
PubChem CID88642400
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name(6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCCC(O)NC(=O)CC(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H41NO2/c1-7-22(25)24-23(26)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15,21-22,25H,7-10,12,14,16-17H2,1-6H3,(H,24,26)/b19-13+,20-15+
InChIKeyBIIJEBGKLZZNPU-YLYRKCBPSA-N
XLogP6.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The IUPAC name of (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (CID 88642400) is (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.
What is the SMILES notation for (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The canonical SMILES for (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is CCC(O)NC(=O)CC(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The InChIKey is BIIJEBGKLZZNPU-YLYRKCBPSA-N. The full InChI is InChI=1S/C23H41NO2/c1-7-22(25)24-23(26)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15,21-22,25H,7-10,12,14,16-17H2,1-6H3,(H,24,26)/b19-13+,20-15+.
What are the key properties of (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
(6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide has a molecular weight of 363.59 g/mol, XLogP of 6.06, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 88642400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).