(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide

C16H20BrNO — CID 166438872

IUPAC(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide
SMILESO=C(/C=C/C=C/CCCBr)NCCc1ccccc1
InChIInChI=1S/C16H20BrNO/c17-13-8-3-1-2-7-11-16(19)18-14-12-15-9-5-4-6-10-15/h1-2,4-7,9-11H,3,8,12-14H2,(H,18,19)/b2-1+,11-7+
InChIKeyWWLRQPXAUFNRDF-IOHLXRPMSA-N
MW322.25 g/mol
LogP3.63
Rot. Bonds8

About (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide

(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide (PubChem CID 166438872) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide
PubChem CID166438872
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide
SMILESO=C(/C=C/C=C/CCCBr)NCCc1ccccc1
InChIInChI=1S/C16H20BrNO/c17-13-8-3-1-2-7-11-16(19)18-14-12-15-9-5-4-6-10-15/h1-2,4-7,9-11H,3,8,12-14H2,(H,18,19)/b2-1+,11-7+
InChIKeyWWLRQPXAUFNRDF-IOHLXRPMSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-phenyl-N-propylhepta-2,4-dienamide
CID 123644978
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405
4-oxo-4-(2-phenylethylamino)but-2-enoate
CID 4295155
8-[4-[5-oxo-5-(2-phenylethylamino)penta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]octa-5,7-dienoic acid
CID 75224777
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N,N-dimethyl-9-phenylnona-2,4-dienamide
CID 123716646
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
N,N-dimethyl-10-phenyldeca-2,4-dienamide
CID 123909046
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
4-[2-(4-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 71379311
(Z)-4-[2-(4-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 91975323

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide?
The IUPAC name of (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide (CID 166438872) is (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide is O=C(/C=C/C=C/CCCBr)NCCc1ccccc1.
What is the InChIKey of (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide?
The InChIKey is WWLRQPXAUFNRDF-IOHLXRPMSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-13-8-3-1-2-7-11-16(19)18-14-12-15-9-5-4-6-10-15/h1-2,4-7,9-11H,3,8,12-14H2,(H,18,19)/b2-1+,11-7+.
What are the key properties of (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide?
(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide has a molecular weight of 322.25 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide is sourced from PubChem (CID 166438872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).