(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide

C11H14N2O2 — CID 11956153

IUPAC(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
SMILESCN(C)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C11H14N2O2/c1-13(2)10-6-3-9(4-7-10)5-8-11(14)12-15/h3-8,15H,1-2H3,(H,12,14)/b8-5+
InChIKeyCLKAYMVZNUKCDR-VMPITWQZSA-N
MW206.24 g/mol
LogP1.27
Rot. Bonds3

About (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 11956153) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
PubChem CID11956153
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
SMILESCN(C)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C11H14N2O2/c1-13(2)10-6-3-9(4-7-10)5-8-11(14)12-15/h3-8,15H,1-2H3,(H,12,14)/b8-5+
InChIKeyCLKAYMVZNUKCDR-VMPITWQZSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.27
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'}

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Related Compounds

(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
(E)-N-cyclopropyl-2-[4-(dimethylamino)phenyl]-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25269094
(2R)-2-[3-[4-(dimethylamino)phenyl]prop-2-enoylamino]-3-methylbutanoic acid
CID 79009478
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
3-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 115427323
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide
CID 56777594
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one;methane
CID 165078297
3-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 79252202
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide (CID 11956153) is (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide is CN(C)c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is CLKAYMVZNUKCDR-VMPITWQZSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13(2)10-6-3-9(4-7-10)5-8-11(14)12-15/h3-8,15H,1-2H3,(H,12,14)/b8-5+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 206.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11956153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).