(2E,4E)-N-benzylhexa-2,4-dienamide

C13H15NO — CID 15743128

IUPAC(2E,4E)-N-benzylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-5-10-13(15)14-11-12-8-6-4-7-9-12/h2-10H,11H2,1H3,(H,14,15)/b3-2+,10-5+
InChIKeyQWSSMPHTIFIUBL-XPQLPGEHSA-N
MW201.27 g/mol
LogP2.44
Rot. Bonds4

About (2E,4E)-N-benzylhexa-2,4-dienamide

(2E,4E)-N-benzylhexa-2,4-dienamide (PubChem CID 15743128) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E,4E)-N-benzylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-benzylhexa-2,4-dienamide
PubChem CID15743128
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E,4E)-N-benzylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-5-10-13(15)14-11-12-8-6-4-7-9-12/h2-10H,11H2,1H3,(H,14,15)/b3-2+,10-5+
InChIKeyQWSSMPHTIFIUBL-XPQLPGEHSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-[[3-(hydroxymethyl)phenyl]methyl]hexa-2,4-dienamide
CID 76990334
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
benzyl 2-(hexa-2,4-dienoylamino)acetate
CID 78587830
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
CID 75407731
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(2E,4E)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]hexa-2,4-dienamide
CID 108736056
(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
CID 10478171

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-benzylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-benzylhexa-2,4-dienamide (CID 15743128) is (2E,4E)-N-benzylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-benzylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-benzylhexa-2,4-dienamide is C/C=C/C=C/C(=O)NCc1ccccc1.
What is the InChIKey of (2E,4E)-N-benzylhexa-2,4-dienamide?
The InChIKey is QWSSMPHTIFIUBL-XPQLPGEHSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-5-10-13(15)14-11-12-8-6-4-7-9-12/h2-10H,11H2,1H3,(H,14,15)/b3-2+,10-5+.
What are the key properties of (2E,4E)-N-benzylhexa-2,4-dienamide?
(2E,4E)-N-benzylhexa-2,4-dienamide has a molecular weight of 201.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-benzylhexa-2,4-dienamide is sourced from PubChem (CID 15743128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).