(E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide

C17H24N2O3 — CID 56683355

IUPAC(E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide
SMILESC/C(=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1)CCC(=O)NO
InChIInChI=1S/C17H24N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h6-9,11,13,22H,5,10H2,1-4H3,(H,18,20)/b12-11+/t13-/m1/s1
InChIKeyZTPXHRXMKLAVGG-XZHRJIJLSA-N
MW304.39 g/mol
LogP2.80
Rot. Bonds7

About (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide

(E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide (PubChem CID 56683355) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide.

Molecular Properties

Compound Name(E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide
PubChem CID56683355
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide
SMILESC/C(=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1)CCC(=O)NO
InChIInChI=1S/C17H24N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h6-9,11,13,22H,5,10H2,1-4H3,(H,18,20)/b12-11+/t13-/m1/s1
InChIKeyZTPXHRXMKLAVGG-XZHRJIJLSA-N
XLogP2.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide?
The IUPAC name of (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide (CID 56683355) is (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide.
What is the SMILES notation for (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide?
The canonical SMILES for (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide is C/C(=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1)CCC(=O)NO.
What is the InChIKey of (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide?
The InChIKey is ZTPXHRXMKLAVGG-XZHRJIJLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h6-9,11,13,22H,5,10H2,1-4H3,(H,18,20)/b12-11+/t13-/m1/s1.
What are the key properties of (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide?
(E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide has a molecular weight of 304.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohept-4-enamide is sourced from PubChem (CID 56683355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).