3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide

C16H23N3O3 — CID 3306998

IUPAC3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide
SMILESCOCC(=O)NNC(C)=CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H23N3O3/c1-10-6-11(2)16(12(3)7-10)17-14(20)8-13(4)18-19-15(21)9-22-5/h6-8,18H,9H2,1-5H3,(H,17,20)(H,19,21)
InChIKeySXJXZMLTZPPNAY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.72
Rot. Bonds6

About 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide

3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide (PubChem CID 3306998) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide.

Molecular Properties

Compound Name3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide
PubChem CID3306998
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide
SMILESCOCC(=O)NNC(C)=CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H23N3O3/c1-10-6-11(2)16(12(3)7-10)17-14(20)8-13(4)18-19-15(21)9-22-5/h6-8,18H,9H2,1-5H3,(H,17,20)(H,19,21)
InChIKeySXJXZMLTZPPNAY-UHFFFAOYSA-N
XLogP1.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-fluorobenzoyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide
CID 4130260
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
methyl-(3-methylbut-2-enyl)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622091
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
3-[2-[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinyl]-N-ethylbut-2-enamide
CID 3277242

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide?
The IUPAC name of 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide (CID 3306998) is 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide.
What is the SMILES notation for 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide?
The canonical SMILES for 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide is COCC(=O)NNC(C)=CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide?
The InChIKey is SXJXZMLTZPPNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-6-11(2)16(12(3)7-10)17-14(20)8-13(4)18-19-15(21)9-22-5/h6-8,18H,9H2,1-5H3,(H,17,20)(H,19,21).
What are the key properties of 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide?
3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide is sourced from PubChem (CID 3306998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).