(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide

C16H20N2O2 — CID 26679975

IUPAC(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-4-5-6-7-15(19)17-13-8-10-14(11-9-13)18-16(20)12(2)3/h4-12H,1-3H3,(H,17,19)(H,18,20)/b5-4+,7-6+
InChIKeyGJDOFGJJYSTRGQ-YTXTXJHMSA-N
MW272.35 g/mol
LogP3.35
Rot. Bonds5

About (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide (PubChem CID 26679975) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
PubChem CID26679975
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-4-5-6-7-15(19)17-13-8-10-14(11-9-13)18-16(20)12(2)3/h4-12H,1-3H3,(H,17,19)(H,18,20)/b5-4+,7-6+
InChIKeyGJDOFGJJYSTRGQ-YTXTXJHMSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
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

(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide
CID 9219955
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] hexa-2,4-dienoate
CID 3277277
2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
CID 78773493
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746
(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
CID 17460381
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
CID 97377775
4-[[(4E)-hexa-2,4-dienoyl]amino]-2-methylbenzoic acid
CID 154810509
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide (CID 26679975) is (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide?
The InChIKey is GJDOFGJJYSTRGQ-YTXTXJHMSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-5-6-7-15(19)17-13-8-10-14(11-9-13)18-16(20)12(2)3/h4-12H,1-3H3,(H,17,19)(H,18,20)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide has a molecular weight of 272.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 26679975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).