3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide

C15H21N3O4 — CID 542160

IUPAC3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOCC(=O)NN=C(C)CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H21N3O4/c1-10-5-6-13(22-4)12(7-10)16-14(19)8-11(2)17-18-15(20)9-21-3/h5-7H,8-9H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyCOSAZJJWUBUFHQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.47
Rot. Bonds7

About 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide

3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 542160) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID542160
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOCC(=O)NN=C(C)CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H21N3O4/c1-10-5-6-13(22-4)12(7-10)16-14(19)8-11(2)17-18-15(20)9-21-3/h5-7H,8-9H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyCOSAZJJWUBUFHQ-UHFFFAOYSA-N
XLogP1.47
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 17384502
4-iodo-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3956236
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 6051954
2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3436532
N-[(E)-[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 17386398
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3105692
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N'-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxy-5-methylphenyl)oxamide
CID 4600849
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide (CID 542160) is 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide is COCC(=O)NN=C(C)CC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is COSAZJJWUBUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-5-6-13(22-4)12(7-10)16-14(19)8-11(2)17-18-15(20)9-21-3/h5-7H,8-9H2,1-4H3,(H,16,19)(H,18,20).
What are the key properties of 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide?
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 307.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 542160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).