2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide

C14H19N3O3 — CID 46192030

IUPAC2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide
SMILESCOc1ccc(/C=C/C(C)=N/OC(C)C(=O)NN)cc1
InChIInChI=1S/C14H19N3O3/c1-10(17-20-11(2)14(18)16-15)4-5-12-6-8-13(19-3)9-7-12/h4-9,11H,15H2,1-3H3,(H,16,18)/b5-4+,17-10+
InChIKeyYQKXQFJHQXADDL-GHKDQAKYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds6

About 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide

2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide (PubChem CID 46192030) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide.

Molecular Properties

Compound Name2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide
PubChem CID46192030
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide
SMILESCOc1ccc(/C=C/C(C)=N/OC(C)C(=O)NN)cc1
InChIInChI=1S/C14H19N3O3/c1-10(17-20-11(2)14(18)16-15)4-5-12-6-8-13(19-3)9-7-12/h4-9,11H,15H2,1-3H3,(H,16,18)/b5-4+,17-10+
InChIKeyYQKXQFJHQXADDL-GHKDQAKYSA-N
XLogP1.48
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)but-3-en-2-ylideneamino] methanesulfonate
CID 141018323
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxyacetohydrazide
CID 46191883
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,4-dien-3-one
CID 101348718
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino] furan-2-carboxylate
CID 42695400
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide?
The IUPAC name of 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide (CID 46192030) is 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide.
What is the SMILES notation for 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide?
The canonical SMILES for 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide is COc1ccc(/C=C/C(C)=N/OC(C)C(=O)NN)cc1.
What is the InChIKey of 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide?
The InChIKey is YQKXQFJHQXADDL-GHKDQAKYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(17-20-11(2)14(18)16-15)4-5-12-6-8-13(19-3)9-7-12/h4-9,11H,15H2,1-3H3,(H,16,18)/b5-4+,17-10+.
What are the key properties of 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide?
2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide has a molecular weight of 277.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]amino]oxypropanehydrazide is sourced from PubChem (CID 46192030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).