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

C18H21N3O2 — CID 6892656

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-4-8-16(9-5-14)20-18(22)13-23-19-12-15-6-10-17(11-7-15)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)/b19-12+
InChIKeyYONMVYHOCRREDG-XDHOZWIPSA-N
MW311.39 g/mol
LogP3.05
Rot. Bonds6

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

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 6892656) 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-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
PubChem CID6892656
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-4-8-16(9-5-14)20-18(22)13-23-19-12-15-6-10-17(11-7-15)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)/b19-12+
InChIKeyYONMVYHOCRREDG-XDHOZWIPSA-N
XLogP3.05
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.05
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-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (CID 6892656) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is YONMVYHOCRREDG-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-4-8-16(9-5-14)20-18(22)13-23-19-12-15-6-10-17(11-7-15)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)/b19-12+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.05, 6 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 6892656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).