2-(methylamino)-N-phenylacetamide
PubChem CID: 541846
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| Compound Synonyms | 2-(methylamino)-N-phenylacetamide, 31110-53-9, 2-Methylamino-N-phenyl-acetamide, methylamino-N-phenyl-acetamide, SCHEMBL5969586, GPKJKIOOIVUFMI-UHFFFAOYSA-N, AKOS000155288, FR-0078, EN300-57874 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | CNCC=O)Ncccccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methylamino)-N-phenylacetamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12N2O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | GPKJKIOOIVUFMI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-methylamino-n-phenyl-acetamide |
| Esol Class | Very soluble |
| Functional Groups | CNC, cNC(C)=O |
| Compound Name | 2-(methylamino)-N-phenylacetamide |
| Exact Mass | 164.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12N2O/c1-10-7-9(12)11-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,11,12) |
| Smiles | CNCC(=O)NC1=CC=CC=C1 |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Reference:ISBN:9770972795006