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

C18H21N3O2 — CID 6892641

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide
SMILESCN(C)c1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-20(2)16-11-9-15(10-12-16)13-19-23-14-18(22)21(3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b19-13+
InChIKeyIJNUJORSQIAEGG-CPNJWEJPSA-N
MW311.39 g/mol
LogP2.77
Rot. Bonds6

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

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide (PubChem CID 6892641) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide
PubChem CID6892641
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide
SMILESCN(C)c1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-20(2)16-11-9-15(10-12-16)13-19-23-14-18(22)21(3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b19-13+
InChIKeyIJNUJORSQIAEGG-CPNJWEJPSA-N
XLogP2.77
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
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

[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42901512
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
2-[[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 2565865
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 6907348
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline
CID 66554637
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
CID 77013496
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide (CID 6892641) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide is CN(C)c1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide?
The InChIKey is IJNUJORSQIAEGG-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20(2)16-11-9-15(10-12-16)13-19-23-14-18(22)21(3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b19-13+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide has a molecular weight of 311.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 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-methyl-N-phenylacetamide is sourced from PubChem (CID 6892641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).