N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide

C17H17NO2 — CID 2218355

IUPACN-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
SMILESCC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C17H17NO2/c1-17(2,16(19)15-11-7-4-8-12-15)18(20)13-14-9-5-3-6-10-14/h3-13H,1-2H3/b18-13-
InChIKeyNUAANDVMJXQRAH-AQTBWJFISA-N
MW267.33 g/mol
LogP3.28
Rot. Bonds4

About N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide

N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide (PubChem CID 2218355) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
PubChem CID2218355
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
SMILESCC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C17H17NO2/c1-17(2,16(19)15-11-7-4-8-12-15)18(20)13-14-9-5-3-6-10-14/h3-13H,1-2H3/b18-13-
InChIKeyNUAANDVMJXQRAH-AQTBWJFISA-N
XLogP3.28
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine 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-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The IUPAC name of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide (CID 2218355) is N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide is CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The InChIKey is NUAANDVMJXQRAH-AQTBWJFISA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2,16(19)15-11-7-4-8-12-15)18(20)13-14-9-5-3-6-10-14/h3-13H,1-2H3/b18-13-.
What are the key properties of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide has a molecular weight of 267.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide is sourced from PubChem (CID 2218355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).