(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one

C24H23N3O2 — CID 11315148

IUPAC(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one
SMILESCOc1ccc(/N=C(C)/C(=N\Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c1-17-9-11-21(12-10-17)26-27-23(24(28)19-7-5-4-6-8-19)18(2)25-20-13-15-22(29-3)16-14-20/h4-16,26H,1-3H3/b25-18+,27-23+
InChIKeyUPMGUYDLWIXGED-KNUHODRNSA-N
MW385.47 g/mol
LogP5.45
Rot. Bonds7

About (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one

(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one (PubChem CID 11315148) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one
PubChem CID11315148
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one
SMILESCOc1ccc(/N=C(C)/C(=N\Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c1-17-9-11-21(12-10-17)26-27-23(24(28)19-7-5-4-6-8-19)18(2)25-20-13-15-22(29-3)16-14-20/h4-16,26H,1-3H3/b25-18+,27-23+
InChIKeyUPMGUYDLWIXGED-KNUHODRNSA-N
XLogP5.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-(4-methylphenyl)iminopentan-2-one
CID 5466429
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
(3E)-4-imino-3-[(4-methylphenyl)hydrazinylidene]-4-phenylbutan-2-one
CID 11357944
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339871
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
anisole;1-phenylethanone;toluene
CID 157308620

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one?
The IUPAC name of (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one (CID 11315148) is (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one.
What is the SMILES notation for (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one?
The canonical SMILES for (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one is COc1ccc(/N=C(C)/C(=N\Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one?
The InChIKey is UPMGUYDLWIXGED-KNUHODRNSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-9-11-21(12-10-17)26-27-23(24(28)19-7-5-4-6-8-19)18(2)25-20-13-15-22(29-3)16-14-20/h4-16,26H,1-3H3/b25-18+,27-23+.
What are the key properties of (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one?
(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one has a molecular weight of 385.47 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one is sourced from PubChem (CID 11315148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).