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N-(2,4-dimethoxyphenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide

HCID 178694367
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Basic information

CAS
331431-31-3
Standard SMILES
C=CCOc1cccc(C=NNC(=O)C(=O)Nc2ccc(OC)cc2OC)c1
InChIKey
DRPOACTWAOZQCY-UHFFFAOYSA-N
Molecular formula
C20H21N3O5
Average molar mass
383.4 g/mol
Monoisotopic mass
383.14812078

Names & identifiers

Preferred name
N-(2,4-dimethoxyphenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
IUPAC
N-(2,4-dimethoxyphenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
English name
2-{2-[3-(allyloxy)benzylidene]hydrazino}-N-(2,4-dimethoxyphenyl)-2-oxoacetamide
Molecular formula
C20H21N3O5
Molecular weight
383.4

Names & synonyms

CBMicro_0252042-{2-[3-(allyloxy)benzylidene]hydrazino}-N-(2,4-dimethoxyphenyl)-2-oxoacetamideN-(2,4-dimethoxyphenyl)-2-oxo-2-{(2E)-2-[3-(prop-2-en-1-yloxy)benzylidene]hydrazinyl}acetamideAcetic acid, 2-[(2,4-dimethoxyphenyl)amino]-2-oxo-, 2-[[3-(2-propen-1-yloxy)phenyl]methylene]hydrazide

Database identifiers

CAS
331431-31-3
PubChem CID
1720479

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
98.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Formal charge
0
Complexity
554

Physicochemical properties

Density
1.187 · 1.187±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
9.943 · 9.943±0.46(predicted)

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