(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide

C15H23NO2 — CID 88991133

IUPAC(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide
SMILESC=CCC/C=C/C=C/C(=O)NCC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-15(17)16-13-14-9-11-18-12-10-14/h2,5-8,14H,1,3-4,9-13H2,(H,16,17)/b6-5+,8-7+
InChIKeyBKOJUHBBQAPNNC-BSWSSELBSA-N
MW249.35 g/mol
LogP2.61
Rot. Bonds7

About (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide

(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide (PubChem CID 88991133) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide
PubChem CID88991133
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide
SMILESC=CCC/C=C/C=C/C(=O)NCC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-15(17)16-13-14-9-11-18-12-10-14/h2,5-8,14H,1,3-4,9-13H2,(H,16,17)/b6-5+,8-7+
InChIKeyBKOJUHBBQAPNNC-BSWSSELBSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide?
The IUPAC name of (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide (CID 88991133) is (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide is C=CCC/C=C/C=C/C(=O)NCC1CCOCC1.
What is the InChIKey of (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide?
The InChIKey is BKOJUHBBQAPNNC-BSWSSELBSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-15(17)16-13-14-9-11-18-12-10-14/h2,5-8,14H,1,3-4,9-13H2,(H,16,17)/b6-5+,8-7+.
What are the key properties of (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide?
(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide has a molecular weight of 249.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide is sourced from PubChem (CID 88991133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).