Methyl n-acetylanthranilate
PubChem CID: 17623
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| Compound Synonyms | Methyl 2-Acetamidobenzoate, Methyl N-acetylanthranilate, 2719-08-6, METHYL 2-(ACETYLAMINO)BENZOATE, Methyl N-acetoanthranilate, Benzoic acid, 2-(acetylamino)-, methyl ester, N-Acetyl methyl anthranilate, Anthranilic acid, N-acetyl-, methyl ester, 738C69YF2O, NSC-45919, 2-Acetylaminobenzoic acid, methyl ester, UNII-738C69YF2O, DTXSID0051948, EINECS 220-318-5, NSC 45919, METHYL N-ACETYLANTHRANILATE [FHFI], O-ACETAMIDOBENZOIC ACID METHYL ESTER, 2-(ACETYLAMINO)BENZOIC ACID METHYL ESTER, Anthranilic acid, N-acetyl-, methyl ester (8CI), N-(2-Carbomethoxyphenyl)-acetamide, MFCD00144760, Maybridge1_003527, Benzoic acid,2-(acetylamino)-, methyl ester, SCHEMBL1640485, CHEMBL5490368, DTXCID7030511, METHYL ACETYLAMINOBENZOATE, HMS551I07, CHEBI:165203, Methyl 2-(acetylamino)benzoate #, N-(2-carbomethoxyphenyl)acetamide, ACETYL-N-METHYL-ANTHRANILATE, CAA71908, NSC45919, 2-Acetamidobenzoic Acid Methyl Ester, BBL005358, CCG-55707, STK398088, N-Acetylanthranilic Acid Methyl Ester, AKOS000313365, 2-(acetamido)benzoic acid methyl ester, VS-01568, Benzoic acid,2-(acetylamino)-,methyl ester, EU-0084552, M2087, NS00012843, D91577, SR-01000644719-1, Q27266153 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Anthranillic acid derivatives |
| Deep Smiles | COC=O)cccccc6NC=O)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-acetamidobenzoate |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H11NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UYQKZKVNYKOXHG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | Methyl N-acetylanthranilic acid, 2-(Acetylamino)-benzoic acid, 2-Acetylaminobenzoic acid, methyl ester, Anthranilic acid, N-acetyl-, methyl ester, Anthranilic acid, N-acetyl-, methyl ester (8ci), Benzoic acid, 2-(acetylamino)-, methyl ester, Methyl 2-(acetylamino)benzoate, Methyl N-acetoanthranilate, N-Acetyl methyl anthranilate, N-Acetylanthranilate, N-Acetylanthranilic acid, N-[2-(Methoxycarbonyl)phenyl]ethanimidate, methyl n-acetyl anthranilate |
| Esol Class | Soluble |
| Functional Groups | cC(=O)OC, cNC(C)=O |
| Compound Name | Methyl n-acetylanthranilate |
| Kingdom | Organic compounds |
| Exact Mass | 193.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 193.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12) |
| Smiles | CC(=O)NC1=CC=CC=C1C(=O)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acylaminobenzoic acid and derivatives |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493