2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide

C23H23N3O3 — CID 6907348

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
SMILESCN(C)c1ccc(/C=N/OCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-26(2)20-13-11-18(12-14-20)16-24-28-17-23(27)25-19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyAIQLGBMQJQWVCG-LFVJCYFKSA-N
MW389.46 g/mol
LogP4.53
Rot. Bonds8

About 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide (PubChem CID 6907348) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
PubChem CID6907348
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
SMILESCN(C)c1ccc(/C=N/OCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-26(2)20-13-11-18(12-14-20)16-24-28-17-23(27)25-19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyAIQLGBMQJQWVCG-LFVJCYFKSA-N
XLogP4.53
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 2565865
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7644489
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide
CID 6892641
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-phenoxyphenyl)acetamide
CID 7700764
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide (CID 6907348) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide is CN(C)c1ccc(/C=N/OCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide?
The InChIKey is AIQLGBMQJQWVCG-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(2)20-13-11-18(12-14-20)16-24-28-17-23(27)25-19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 6907348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).