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EN4 10mg

CAT: 0628-A22421-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22421-10Size:10 mg
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CAS Number
1197824-15-9

Chemical Information

N-(2-(4-ethoxyphenoxy)phenyl)-4-((prop-2-enamido)methyl)benzamide
CAS Number1197824-15-9
PubChem CID45917225
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
Molecular FormulaC25H24N2O4
Molecular Weight416.5
XLogP4.3
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity580
SMILES
CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
InChI
InChI=1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
InChIKey
DKOWGKKELPCHEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(4-ethoxyphenoxy)phenyl)-4-((prop-2-enamido)methyl)benzamide
CAS: 1197824-15-9
CID: 45917225
Formula: C25H24N2O4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass416.17360725
Monoisotopic Mass416.17360725
Topological Polar Surface Area76.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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