2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide

C20H25N3O2 — CID 6904547

IUPAC2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-23(5-2)19-11-9-17(10-12-19)14-21-25-15-20(24)22-18-8-6-7-16(3)13-18/h6-14H,4-5,15H2,1-3H3,(H,22,24)/b21-14+
InChIKeyHQYWMOCTHVNAPN-KGENOOAVSA-N
MW339.44 g/mol
LogP3.83
Rot. Bonds8

About 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide

2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide (PubChem CID 6904547) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
PubChem CID6904547
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-23(5-2)19-11-9-17(10-12-19)14-21-25-15-20(24)22-18-8-6-7-16(3)13-18/h6-14H,4-5,15H2,1-3H3,(H,22,24)/b21-14+
InChIKeyHQYWMOCTHVNAPN-KGENOOAVSA-N
XLogP3.83
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide (CID 6904547) is 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide is CCN(CC)c1ccc(/C=N/OCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is HQYWMOCTHVNAPN-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-23(5-2)19-11-9-17(10-12-19)14-21-25-15-20(24)22-18-8-6-7-16(3)13-18/h6-14H,4-5,15H2,1-3H3,(H,22,24)/b21-14+.
What are the key properties of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide?
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6904547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).