(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide

C13H16N2O2 — CID 11593830

IUPAC(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
SMILESCN(C)c1ccc(/C=C/C=C/C(=O)NO)cc1
InChIInChI=1S/C13H16N2O2/c1-15(2)12-9-7-11(8-10-12)5-3-4-6-13(16)14-17/h3-10,17H,1-2H3,(H,14,16)/b5-3+,6-4+
InChIKeyINGBFZYAJKPXJR-GGWOSOGESA-N
MW232.28 g/mol
LogP1.83
Rot. Bonds4

About (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide

(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide (PubChem CID 11593830) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
PubChem CID11593830
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
SMILESCN(C)c1ccc(/C=C/C=C/C(=O)NO)cc1
InChIInChI=1S/C13H16N2O2/c1-15(2)12-9-7-11(8-10-12)5-3-4-6-13(16)14-17/h3-10,17H,1-2H3,(H,14,16)/b5-3+,6-4+
InChIKeyINGBFZYAJKPXJR-GGWOSOGESA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
[(2Z,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]azanium
CID 143521893
(1Z,4E,6E)-1,7-bis[4-(dimethylamino)phenyl]-1-hydroxyhepta-1,4,6-trien-3-one
CID 118135816
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide
CID 125484977
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(1E,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 10821548
4-[(1Z,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 101097546
[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]phenyl]boronic acid
CID 10017260

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide (CID 11593830) is (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide is CN(C)c1ccc(/C=C/C=C/C(=O)NO)cc1.
What is the InChIKey of (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide?
The InChIKey is INGBFZYAJKPXJR-GGWOSOGESA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(2)12-9-7-11(8-10-12)5-3-4-6-13(16)14-17/h3-10,17H,1-2H3,(H,14,16)/b5-3+,6-4+.
What are the key properties of (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide?
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide has a molecular weight of 232.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide is sourced from PubChem (CID 11593830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).