N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide

C18H19N3O3 — CID 6382258

IUPACN-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(12-17(22)19-15-6-4-3-5-7-15)20-21-18(23)14-8-10-16(24-2)11-9-14/h3-11H,12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-
InChIKeyLLMRPFDMOGEGSQ-MOSHPQCFSA-N
MW325.37 g/mol
LogP2.83
Rot. Bonds6

About N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide

N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide (PubChem CID 6382258) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
PubChem CID6382258
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(12-17(22)19-15-6-4-3-5-7-15)20-21-18(23)14-8-10-16(24-2)11-9-14/h3-11H,12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-
InChIKeyLLMRPFDMOGEGSQ-MOSHPQCFSA-N
XLogP2.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
CID 6380482
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
4-methoxy-N-[(Z)-[4-oxo-4-[[(1S)-1-phenylethyl]amino]butan-2-ylidene]amino]benzamide
CID 7269523
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide (CID 6382258) is N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide?
The InChIKey is LLMRPFDMOGEGSQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(12-17(22)19-15-6-4-3-5-7-15)20-21-18(23)14-8-10-16(24-2)11-9-14/h3-11H,12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-.
What are the key properties of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide?
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide is sourced from PubChem (CID 6382258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).