Mandelamide
PubChem CID: 73558
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| Compound Synonyms | 2-Hydroxy-2-phenylacetamide, dl-Mandelamide, 4410-31-5, Mandelamide, (+/-)-mandelamide, 4358-86-5, I5M132OPVN, AMYGDALINAMIDE, Benzeneacetamide, .alpha.-hydroxy-, MFCD00025495, NSC 16603, NSC-16603, 2-PHENYLGLYCOLAMIDE, UNII-I5M132OPVN, 2-hydroxy-2-phenyl-acetamide, DL-MANDELIC ACID AMIDE, MANDELAMIDE, (+/-)-, CHEBI:136824, .ALPHA.-HYDROXYBENZYLCARBOXAMIDE, mandelic acid amide, Mandelamide, 97%, Oprea1_800185, alpha-Hydroxy-benzeneacetamide, SCHEMBL159419, 2-Hydroxy-2-phenylacetamide #, Benzeneacetamide, alpha-hydroxy-, SCHEMBL13447497, DTXSID901318287, NSC16603, ALPHA-HYDROXYBENZYLCARBOXAMIDE, BENZENEACETAMIDE, A-HYDROXY-, (2S)-2-Hydroxy-2-phenyl-acetamide, GEO-01646, AKOS005254725, AKOS032963157, DS-9906, SB45152, DA-05826, SY075683, DB-051114, CS-0149991, F17453, AI-942/25034561, DL-MANDELAMIDE 2-HYDROXY-2-PHENYLACETAMIDE, Q27894789, 626-245-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCcccccc6))))))C=O)N |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylacetamides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-2-phenylacetamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | MAGPZHKLEZXLNU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | mandelamide |
| Esol Class | Very soluble |
| Functional Groups | CC(N)=O, CO |
| Compound Name | Mandelamide |
| Exact Mass | 151.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11) |
| Smiles | C1=CC=C(C=C1)C(C(=O)N)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Mauritiana (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Merremia Kentrocaulos (Plant) Rel Props:Reference:ISBN:9770972795006