(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide

C17H18N4O3 — CID 136662570

IUPAC(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
SMILESCOc1ccc(N/N=C(C)/C(=N\O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(19-20-14-8-10-15(24-2)11-9-14)16(21-23)17(22)18-13-6-4-3-5-7-13/h3-11,20,23H,1-2H3,(H,18,22)/b19-12+,21-16+
InChIKeyBPGGDJJSBCFUIK-FHCHWCQOSA-N
MW326.36 g/mol
LogP2.95
Rot. Bonds6

About (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide

(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide (PubChem CID 136662570) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide.

Molecular Properties

Compound Name(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
PubChem CID136662570
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
SMILESCOc1ccc(N/N=C(C)/C(=N\O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(19-20-14-8-10-15(24-2)11-9-14)16(21-23)17(22)18-13-6-4-3-5-7-13/h3-11,20,23H,1-2H3,(H,18,22)/b19-12+,21-16+
InChIKeyBPGGDJJSBCFUIK-FHCHWCQOSA-N
XLogP2.95
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
CID 136658152
(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide
CID 142189341
(2E,3Z)-2-hydroxyimino-3-[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]-N-phenylbutanamide
CID 136882590
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)
CID 170850552
(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
CID 135637878
N-[(Z)-[(3Z)-4-anilino-3-hydroxyimino-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 136861513
4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
CID 91962586

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
The IUPAC name of (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide (CID 136662570) is (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide.
What is the SMILES notation for (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
The canonical SMILES for (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide is COc1ccc(N/N=C(C)/C(=N\O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
The InChIKey is BPGGDJJSBCFUIK-FHCHWCQOSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(19-20-14-8-10-15(24-2)11-9-14)16(21-23)17(22)18-13-6-4-3-5-7-13/h3-11,20,23H,1-2H3,(H,18,22)/b19-12+,21-16+.
What are the key properties of (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide has a molecular weight of 326.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide is sourced from PubChem (CID 136662570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).