(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide

C17H25NO — CID 5321102

IUPAC(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
SMILESC/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3/h4-9,12-16H,10-11H2,1-3H3,(H,18,19)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKeyPSKIOIDCXFHNJA-JDXPBYPHSA-N
MW259.39 g/mol
LogP4.09
Rot. Bonds8

About (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide

(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide (PubChem CID 5321102) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide.

Molecular Properties

Compound Name(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
PubChem CID5321102
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
SMILESC/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3/h4-9,12-16H,10-11H2,1-3H3,(H,18,19)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKeyPSKIOIDCXFHNJA-JDXPBYPHSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-propan-2-yltetradeca-2,4,8,10,12-pentaenamide?
The IUPAC name of (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide (CID 5321102) is (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide.
What is the SMILES notation for (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide?
The canonical SMILES for (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide is C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)C.
What is the InChIKey of (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide?
The InChIKey is PSKIOIDCXFHNJA-JDXPBYPHSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3/h4-9,12-16H,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-propan-2-yltetradeca-2,4,8,10,12-pentaenamide?
(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide has a molecular weight of 259.39 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide is sourced from PubChem (CID 5321102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).