1.0 2020-03-10 17:01:57 UTC 2020-04-22 18:56:21 UTC BMDB0096146 BMDB96146 N-Acetyldopamine N-Acetyl-dopamine NADA NSC 314644 N-(2-(3,4-Dihydroxyphenyl)ethyl)acetamide (acd/name 4.0) N-(3,4-Dihydroxyphenethyl)-acetamide {N-[2-(3,} 4-dihydroxyphenyl)ethyl]-acetamide N-Acetyldopamine hydrobromide C10H13NO3 195.2151 195.089543287 N-[2-(3,4-dihydroxyphenyl)ethyl]ethanimidic acid N-[2-(3,4-dihydroxyphenyl)ethyl]ethanimidic acid 2494-12-4 CC(O)=NCCC1=CC(O)=C(O)C=C1 InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12) OFSAJYZMIPNPHE-UHFFFAOYSA-N belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Organic compounds Benzenoids Phenols Benzenediols Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Carboximidic acids Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Carboximidic acid Carboximidic acid derivative Catechol Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds logp 1.12 ALOGPS logs -2.49 ALOGPS logp 0.98 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic 6.16 ChemAxon iupac N-[2-(3,4-dihydroxyphenyl)ethyl]ethanimidic acid ChemAxon average_mass 195.2151 ChemAxon mono_mass 195.089543287 ChemAxon smiles CC(O)=NCCC1=CC(O)=C(O)C=C1 ChemAxon formula C10H13NO3 ChemAxon inchi InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12) ChemAxon inchikey OFSAJYZMIPNPHE-UHFFFAOYSA-N ChemAxon polar_surface_area 73.05 ChemAxon refractivity 53.21 ChemAxon polarizability 20.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 9292 Specdb::CMs 47625 Specdb::CMs 162147 Specdb::MsMs 286510 Specdb::MsMs 286511 Specdb::MsMs 286512 Specdb::MsMs 325102 Specdb::MsMs 325103 Specdb::MsMs 325104 Specdb::MsMs 2742691 Specdb::MsMs 2742692 Specdb::MsMs 2742693 Specdb::MsMs 2940041 Specdb::MsMs 2940042 Specdb::MsMs 2940043 FDB111680 90825 125678 100526 C00033243