N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide

C15H21N3O3 — CID 542528

IUPACN-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
SMILESCCc1ccccc1NC(=O)CC(C)=NNC(=O)COC
InChIInChI=1S/C15H21N3O3/c1-4-12-7-5-6-8-13(12)16-14(19)9-11(2)17-18-15(20)10-21-3/h5-8H,4,9-10H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyVATDJJDUPDFLIQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.72
Rot. Bonds7

About N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide

N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide (PubChem CID 542528) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
PubChem CID542528
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
SMILESCCc1ccccc1NC(=O)CC(C)=NNC(=O)COC
InChIInChI=1S/C15H21N3O3/c1-4-12-7-5-6-8-13(12)16-14(19)9-11(2)17-18-15(20)10-21-3/h5-8H,4,9-10H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyVATDJJDUPDFLIQ-UHFFFAOYSA-N
XLogP1.72
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.72
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

(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
CID 6321959
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
(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 17384502
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 171979042
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide (CID 542528) is N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide is CCc1ccccc1NC(=O)CC(C)=NNC(=O)COC.
What is the InChIKey of N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The InChIKey is VATDJJDUPDFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-12-7-5-6-8-13(12)16-14(19)9-11(2)17-18-15(20)10-21-3/h5-8H,4,9-10H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide has a molecular weight of 291.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 542528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).