N-acetyl-o-toluidine
PubChem CID: 8443
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| Compound Synonyms | 120-66-1, o-Acetotoluidide, N-(2-Methylphenyl)acetamide, 2'-Methylacetanilide, N-(o-Tolyl)acetamide, 2-Methylacetanilide, o-Acetotoluide, Acetyl-o-toluidine, o-Methylacetanilide, Acetamide, N-(2-methylphenyl)-, N-ACETYL-O-TOLUIDINE, N-o-Tolylacetamide, N-Acetyl-2-toluidine, Acet-o-toluidide, N-Acetyl-o-toludine, 2`-Methylacetanilide, o-Acetotoluidine, N-Acetoxy-2-toluidine, NSC 3365, CCRIS 1237, HSDB 4256, EINECS 204-414-4, DTXSID1024413, AI3-03946, NSC-3365, MFCD00014961, 425I3L2A81, O-ACETOTOLUIDE [MI], DTXCID704413, N-ACETYL-O-TOLUIDINE [HSDB], Acetamide, N-(methylphenyl)-, oAcetotoluide, oAcetotoluidide, Acetylotoluidine, NoTolylacetamide, oMethylacetanilide, UNII-425I3L2A81, NAcetyl2toluidine, 2Methylacetanilide, Acetyl-o-Toluidin, NAcetoxy2toluidine, N-acetyl 2-toluidine, N-(o-tolyl)-acetamide, O-ACETYLTOLUIDIDE, O-ACETAMIDOTOLUENE, N(2Methylphenyl)acetamide, N-ACETYL-O-TOLUIDIDE, Acetamide, N(2methylphenyl), SCHEMBL96123, WLN: 1VMR B1, MLS002415753, N-(2-Methyl-phenyl)acetamide, N-(2-Methylphenyl)acetamide #, CHEMBL1568309, SCHEMBL10517748, BPEXTIMJLDWDTL-UHFFFAOYSA-, NSC3365, CHEBI:189137, N-(O-METHYLPHENYL)ACETAMIDE, Tox21_200288, STK073383, N-(2-METHYLPHENYL)-ACETAMIDE, AKOS000492802, PS-5222, NCGC00091880-01, NCGC00091880-02, NCGC00257842-01, CAS-120-66-1, SMR001370914, SY061619, DB-061764, A0063, CS-0152950, NS00014370, EN300-78573, 10.14272/BPEXTIMJLDWDTL-UHFFFAOYSA-N, A51039, doi:10.14272/BPEXTIMJLDWDTL-UHFFFAOYSA-N, Q27258494, InChI=1/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
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| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, P15428, Q96QE3, P83916, Q9UNA4, O75496 |
| Iupac Name | N-(2-methylphenyl)acetamide |
| Prediction Hob | 1.0 |
| Target Id | NPT94, NPT151 |
| Xlogp | 0.9 |
| Molecular Formula | C9H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.465 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.105 |
| Compound Name | N-acetyl-o-toluidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 149.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3563329636363632 |
| Inchi | InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
| Smiles | CC1=CC=CC=C1NC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Transmorrisonensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all