(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide

C17H25NO2 — CID 5318129

IUPAC(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
SMILESC/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)(C)O
InChIInChI=1S/C17H25NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18-17(2,3)20/h4-9,12-15,20H,10-11H2,1-3H3,(H,18,19)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKeyBHHBIFKHVGSQFJ-JDXPBYPHSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds8

About (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide

(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide (PubChem CID 5318129) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide.

Molecular Properties

Compound Name(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
PubChem CID5318129
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
SMILESC/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)(C)O
InChIInChI=1S/C17H25NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18-17(2,3)20/h4-9,12-15,20H,10-11H2,1-3H3,(H,18,19)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKeyBHHBIFKHVGSQFJ-JDXPBYPHSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide?
The IUPAC name of (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide (CID 5318129) is (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide.
What is the SMILES notation for (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide?
The canonical SMILES for (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide is C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)(C)O.
What is the InChIKey of (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide?
The InChIKey is BHHBIFKHVGSQFJ-JDXPBYPHSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18-17(2,3)20/h4-9,12-15,20H,10-11H2,1-3H3,(H,18,19)/b5-4+,7-6+,9-8-,13-12+,15-14+.
What are the key properties of (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide?
(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide has a molecular weight of 275.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide is sourced from PubChem (CID 5318129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).