2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide

C12H17N3O2 — CID 6906923

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide
SMILESCNC(=O)CO/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H17N3O2/c1-13-12(16)9-17-14-8-10-4-6-11(7-5-10)15(2)3/h4-8H,9H2,1-3H3,(H,13,16)/b14-8+
InChIKeyJULFFEWKRFDSHX-RIYZIHGNSA-N
MW235.29 g/mol
LogP0.85
Rot. Bonds5

About 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide (PubChem CID 6906923) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide
PubChem CID6906923
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide
SMILESCNC(=O)CO/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H17N3O2/c1-13-12(16)9-17-14-8-10-4-6-11(7-5-10)15(2)3/h4-8H,9H2,1-3H3,(H,13,16)/b14-8+
InChIKeyJULFFEWKRFDSHX-RIYZIHGNSA-N
XLogP0.85
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 4095074
N-(2,4-dimethylphenyl)-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 9687072
Alpha-hydroxyimino-P-acetotoluidide
CID 6876523
2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6892656
2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6893119
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 6904547
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)propanamide
CID 9605828
2-Hydroxyimino-N-p-tolyl-acetamide
CID 6864756
5-(4-acetamidophenyl)-2(1H)-pyrazinone
CID 6917909
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-ethyl-N-phenylacetamide
CID 9660940
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxyacetic acid
CID 12385389
N-[[(5S)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44319944

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide (CID 6906923) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide is CNC(=O)CO/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide?
The InChIKey is JULFFEWKRFDSHX-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-12(16)9-17-14-8-10-4-6-11(7-5-10)15(2)3/h4-8H,9H2,1-3H3,(H,13,16)/b14-8+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide is sourced from PubChem (CID 6906923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).