| CAS Number | 1197824-15-9 |
| Catalog Number | AG01DV27 |
| Chemical Name | N-[2-(4-ETHOXYPHENOXY)PHENYL]-4-[(PROP-2-ENOYLAMINO)METHYL]BENZAMIDE |
| IUPAC Name | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide |
| 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) |
| InChI Key | DKOWGKKELPCHEG-UHFFFAOYSA-N |
| MDL Number | MFCD13582116 |
| Molecular Formula | C25H24N2O4 |
| Molecular Weight | 416.4691 |
| SMILES | C(C=C)(=O)NCC1=CC=C(C(=O)NC2=C(C=CC=C2)OC2=CC=C(C=C2)OCC)C=C1 |
| Synonyms | 1197824-15-9,
N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide,
ZINC40157965,
MCULE-7111494583,
Z786037886,
N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enamido)methyl]benzamide,
|
| Complexity | 580 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.477g/mol |
| Monoisotopic Mass | 416.174g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number