7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide

C17H24N2O2 — CID 85049354

IUPAC7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide
SMILESCC(C=CC(=O)NO)=CC(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-13(5-10-17(20)18-21)11-14(2)12-15-6-8-16(9-7-15)19(3)4/h5-11,14,21H,12H2,1-4H3,(H,18,20)
InChIKeyPXMPYCKSEDLABE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.94
Rot. Bonds6

About 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide

7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide (PubChem CID 85049354) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide
PubChem CID85049354
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide
SMILESCC(C=CC(=O)NO)=CC(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-13(5-10-17(20)18-21)11-14(2)12-15-6-8-16(9-7-15)19(3)4/h5-11,14,21H,12H2,1-4H3,(H,18,20)
InChIKeyPXMPYCKSEDLABE-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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

(2E,4E)-6-[4-(dimethylamino)phenyl]sulfanyl-N-hydroxy-4-methylhepta-2,4-dienamide
CID 10402906
(2E,4E)-7-[4-(dimethylamino)phenyl]-N,7-dihydroxy-4,6-dimethylhepta-2,4-dienamide
CID 141453072
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienehydrazide
CID 118399980
(3E,5E)-8-[4-(dimethylamino)phenyl]-N-hydroxy-5,7-dimethyl-8-oxoocta-3,5-dienamide
CID 102252345
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
(2S)-2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]pentanedioic acid
CID 57331970
3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide
CID 82350210
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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide (CID 85049354) is 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide is CC(C=CC(=O)NO)=CC(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide?
The InChIKey is PXMPYCKSEDLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(5-10-17(20)18-21)11-14(2)12-15-6-8-16(9-7-15)19(3)4/h5-11,14,21H,12H2,1-4H3,(H,18,20).
What are the key properties of 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide?
7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide has a molecular weight of 288.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide is sourced from PubChem (CID 85049354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).