(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide

C14H15NO2 — CID 26664564

IUPAC(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H15NO2/c1-3-4-5-6-14(17)15-13-9-7-12(8-10-13)11(2)16/h3-10H,1-2H3,(H,15,17)/b4-3+,6-5+
InChIKeyDZJGJWIIBZDSOJ-VNKDHWASSA-N
MW229.28 g/mol
LogP2.96
Rot. Bonds4

About (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide

(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide (PubChem CID 26664564) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
PubChem CID26664564
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H15NO2/c1-3-4-5-6-14(17)15-13-9-7-12(8-10-13)11(2)16/h3-10H,1-2H3,(H,15,17)/b4-3+,6-5+
InChIKeyDZJGJWIIBZDSOJ-VNKDHWASSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
CID 26679975
4-[[(4E)-hexa-2,4-dienoyl]amino]-2-methylbenzoic acid
CID 154810509
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
CID 97377775
(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
CID 17460381
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
CID 75533656
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
CID 145382595
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide
CID 143475257

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide (CID 26664564) is (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide?
The InChIKey is DZJGJWIIBZDSOJ-VNKDHWASSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-4-5-6-14(17)15-13-9-7-12(8-10-13)11(2)16/h3-10H,1-2H3,(H,15,17)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide has a molecular weight of 229.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 26664564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).