(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide

C14H19N3O2 — CID 5371000

IUPAC(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)C/C(C)=N\NC(C)=O
InChIInChI=1S/C14H19N3O2/c1-4-12-7-5-6-8-13(12)15-14(19)9-10(2)16-17-11(3)18/h5-8H,4,9H2,1-3H3,(H,15,19)(H,17,18)/b16-10-
InChIKeyBGTPAKUIDRBUOU-YBEGLDIGSA-N
MW261.32 g/mol
LogP2.09
Rot. Bonds5

About (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide

(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide (PubChem CID 5371000) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
PubChem CID5371000
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)C/C(C)=N\NC(C)=O
InChIInChI=1S/C14H19N3O2/c1-4-12-7-5-6-8-13(12)15-14(19)9-10(2)16-17-11(3)18/h5-8H,4,9H2,1-3H3,(H,15,19)(H,17,18)/b16-10-
InChIKeyBGTPAKUIDRBUOU-YBEGLDIGSA-N
XLogP2.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
3-bromo-N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3916438
N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
CID 6321959
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-fluorobenzamide
CID 4662875
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 171979042
3-chloro-N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 4914002
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide?
The IUPAC name of (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide (CID 5371000) is (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide.
What is the SMILES notation for (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide?
The canonical SMILES for (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide is CCc1ccccc1NC(=O)C/C(C)=N\NC(C)=O.
What is the InChIKey of (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide?
The InChIKey is BGTPAKUIDRBUOU-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-12-7-5-6-8-13(12)15-14(19)9-10(2)16-17-11(3)18/h5-8H,4,9H2,1-3H3,(H,15,19)(H,17,18)/b16-10-.
What are the key properties of (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide?
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide is sourced from PubChem (CID 5371000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).