N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide

C16H16N2O2 — CID 85444633

IUPACN-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide
SMILESCN(C)c1ccc([N+]([O-])=CC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-17(2)14-8-10-15(11-9-14)18(20)12-16(19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyKOJRPRMLCRSSCO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.85
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide

N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide (PubChem CID 85444633) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide
PubChem CID85444633
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide
SMILESCN(C)c1ccc([N+]([O-])=CC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-17(2)14-8-10-15(11-9-14)18(20)12-16(19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyKOJRPRMLCRSSCO-UHFFFAOYSA-N
XLogP2.85
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide (CID 85444633) is N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide is CN(C)c1ccc([N+]([O-])=CC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide?
The InChIKey is KOJRPRMLCRSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17(2)14-8-10-15(11-9-14)18(20)12-16(19)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide?
N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide has a molecular weight of 268.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide is sourced from PubChem (CID 85444633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).