N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID: 162944350
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| Topological Polar Surface Area | 78.4 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C25H26N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSVKECXWDNCRTM-PKTZIBPZSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.253 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.519 |
| Compound Name | N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.194 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 402.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1653628000000005 |
| Inchi | InChI=1S/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23+/m1/s1 |
| Smiles | C1=CC=C(C=C1)C[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients