(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide

C18H24N2O3 — CID 102252345

IUPAC(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide
SMILESCC(/C=C/CC(=O)NO)=C\C(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O3/c1-13(6-5-7-17(21)19-23)12-14(2)18(22)15-8-10-16(11-9-15)20(3)4/h5-6,8-12,14,23H,7H2,1-4H3,(H,19,21)/b6-5+,13-12+
InChIKeyOEKJQXMGUMBOMO-LHELVOSYSA-N
MW316.40 g/mol
LogP2.97
Rot. Bonds7

About (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide

(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide (PubChem CID 102252345) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide
PubChem CID102252345
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide
SMILESCC(/C=C/CC(=O)NO)=C\C(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O3/c1-13(6-5-7-17(21)19-23)12-14(2)18(22)15-8-10-16(11-9-15)20(3)4/h5-6,8-12,14,23H,7H2,1-4H3,(H,19,21)/b6-5+,13-12+
InChIKeyOEKJQXMGUMBOMO-LHELVOSYSA-N
XLogP2.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienehydrazide
CID 118399980
(2S)-2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]pentanedioic acid
CID 57331970
7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide
CID 85049354
(2E,4E)-6-[4-(dimethylamino)phenyl]sulfanyl-N-hydroxy-4-methylhepta-2,4-dienamide
CID 10402906
(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide
CID 123412703
7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhepta-2,4-dienamide
CID 153454210
(2E,4E)-7-[4-(dimethylamino)phenyl]-N,7-dihydroxy-4,6-dimethylhepta-2,4-dienamide
CID 141453072
N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide
CID 140562324
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
4-[(3S)-3,5-dimethyl-8-nitrosonona-1,4,6-trien-2-yl]-N,N-dimethylaniline
CID 91592805
1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
CID 143056091
1-[4-(dimethylamino)phenyl]-4-(2-hydroxypropylidene)hex-2-ene-1,5-dione
CID 163054941

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide?
The IUPAC name of (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide (CID 102252345) is (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide.
What is the SMILES notation for (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide?
The canonical SMILES for (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide is CC(/C=C/CC(=O)NO)=C\C(C)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide?
The InChIKey is OEKJQXMGUMBOMO-LHELVOSYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(6-5-7-17(21)19-23)12-14(2)18(22)15-8-10-16(11-9-15)20(3)4/h5-6,8-12,14,23H,7H2,1-4H3,(H,19,21)/b6-5+,13-12+.
What are the key properties of (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide?
(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide has a molecular weight of 316.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide is sourced from PubChem (CID 102252345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).