N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide

C19H21N3O3 — CID 6321959

IUPACN-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
SMILESCCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccc(O)c1
InChIInChI=1S/C19H21N3O3/c1-3-14-7-4-5-10-17(14)20-18(24)11-13(2)21-22-19(25)15-8-6-9-16(23)12-15/h4-10,12,23H,3,11H2,1-2H3,(H,20,24)(H,22,25)/b21-13+
InChIKeyXTSOTAWCSOEQSF-FYJGNVAPSA-N
MW339.40 g/mol
LogP3.09
Rot. Bonds6

About N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide

N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide (PubChem CID 6321959) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
PubChem CID6321959
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
SMILESCCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccc(O)c1
InChIInChI=1S/C19H21N3O3/c1-3-14-7-4-5-10-17(14)20-18(24)11-13(2)21-22-19(25)15-8-6-9-16(23)12-15/h4-10,12,23H,3,11H2,1-2H3,(H,20,24)(H,22,25)/b21-13+
InChIKeyXTSOTAWCSOEQSF-FYJGNVAPSA-N
XLogP3.09
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
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

3-bromo-N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3916438
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-fluorobenzamide
CID 4662875
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
3-chloro-N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 4914002
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
N-[(Z)-[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 5369499
3,4-dihydroxy-N-[(E)-[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 17384509
N-[[4-(2-methoxyanilino)-4-oxobutan-2-ylidene]amino]naphthalene-2-carboxamide
CID 4115333
3-chloro-N-[(Z)-[4-(2,3-dimethylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6281932
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide (CID 6321959) is N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide is CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccc(O)c1.
What is the InChIKey of N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide?
The InChIKey is XTSOTAWCSOEQSF-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-14-7-4-5-10-17(14)20-18(24)11-13(2)21-22-19(25)15-8-6-9-16(23)12-15/h4-10,12,23H,3,11H2,1-2H3,(H,20,24)(H,22,25)/b21-13+.
What are the key properties of N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide?
N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide is sourced from PubChem (CID 6321959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).