2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide

C16H16N2O3 — CID 71732312

IUPAC2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide
SMILESCOc1ccc(NC(=O)/C=[N+](\[O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-12-3-7-14(8-4-12)18(20)11-16(19)17-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,17,19)/b18-11-
InChIKeyWAOSOHVQEUZSBY-WQRHYEAKSA-N
MW284.32 g/mol
LogP2.85
Rot. Bonds4

About 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide

2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide (PubChem CID 71732312) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide
PubChem CID71732312
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide
SMILESCOc1ccc(NC(=O)/C=[N+](\[O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-12-3-7-14(8-4-12)18(20)11-16(19)17-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,17,19)/b18-11-
InChIKeyWAOSOHVQEUZSBY-WQRHYEAKSA-N
XLogP2.85
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
2-(4-methoxyanilino)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione
CID 3726588
S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
CID 56840073
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
CID 102577743
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide?
The IUPAC name of 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide (CID 71732312) is 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide is COc1ccc(NC(=O)/C=[N+](\[O-])c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide?
The InChIKey is WAOSOHVQEUZSBY-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-3-7-14(8-4-12)18(20)11-16(19)17-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,17,19)/b18-11-.
What are the key properties of 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide?
2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide has a molecular weight of 284.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(4-methylphenyl)-2-oxoethanimine oxide is sourced from PubChem (CID 71732312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).