| CAS Number | 1601839-11-5 |
| Catalog Number | AG01B8MI |
| Chemical Name | N-phenyl-3-(propylamino)butanamide |
| IUPAC Name | N-phenyl-3-(propylamino)butanamide |
| InChI | InChI=1S/C13H20N2O/c1-3-9-14-11(2)10-13(16)15-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,15,16) |
| InChI Key | YZCJGBJJORBVNC-UHFFFAOYSA-N |
| MDL Number | MFCD28246564 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | CCCNC(CC(NC1=CC=CC=C1)=O)C |
| Synonyms | N-phenyl-3-(propylamino)butanamide,
1601839-11-5,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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