1.0 2016-06-03 12:42:10 UTC 2026-08-22 11:48:03 UTC hexadecyl 4-chloro-3-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentamido]benzoate SmallMolecule hexadecyl 4-chloro-3-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentamido]benzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 649.27 g/mol, hexadecyl 4-chloro-3-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentamido]benzoate is a heavy molecule. This compound has the chemical formula C35H53ClN2O7. It has been found in or released from one recorded source, which is drinking water. The recorded route of exposure for this substance is oral. C35H53ClN2O7 649.27 648.3541298 N-{2-chloro-5-[(hexadecyloxy)carbonyl]phenyl}-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanimidic acid N-{2-chloro-5-[(hexadecyloxy)carbonyl]phenyl}-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanimidic acid 168689-49-4 CCCCCCCCCCCCCCCCOC(=O)C1=CC(N=C(O)C(N2C(=O)OC(C)(C)C2=O)C(=O)C(C)(C)C)=C(Cl)C=C1 InChI=1S/C35H53ClN2O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-44-31(41)25-21-22-26(36)27(24-25)37-30(40)28(29(39)34(2,3)4)38-32(42)35(5,6)45-33(38)43/h21-22,24,28H,7-20,23H2,1-6H3,(H,37,40) AXHHFGVVBVHHPY-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Acylaminobenzoic acid and derivatives 1,3-dicarbonyl compounds 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Anilides Aryl chlorides Azacyclic compounds Benzoic acid esters Benzoyl derivatives Carbamate esters Carboxylic acid esters Chlorobenzenes Dicarboximides Fatty amides Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives N-arylamides Organic carbonic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Oxacyclic compounds Oxazolidinediones Secondary carboxylic acid amides 1,3-dicarbonyl compound 4-halobenzoic acid or derivatives Acylaminobenzoic acid or derivatives Alpha-amino acid or derivatives Anilide Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Benzoate ester Benzoyl Carbamic acid ester Carbonic acid derivative Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Chlorobenzene Dicarboximide Fatty acyl Fatty amide Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives N-arylamide Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazolidine Oxazolidinedione Oxazolidinone Secondary carboxylic acid amide Aromatic heteromonocyclic compounds Detected and Not Quantified logp 11.3 logp 7.99 ALOGPS logs -7.82 ALOGPS solubility 9.78e-06 g/l ALOGPS logp 11.53 ChemAxon pka_strongest_acidic 2.53 ChemAxon pka_strongest_basic -0.3 ChemAxon iupac N-{2-chloro-5-[(hexadecyloxy)carbonyl]phenyl}-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanimidic acid ChemAxon average_mass 649.27 ChemAxon mono_mass 648.3541298 ChemAxon smiles CCCCCCCCCCCCCCCCOC(=O)C1=CC(N=C(O)C(N2C(=O)OC(C)(C)C2=O)C(=O)C(C)(C)C)=C(Cl)C=C1 ChemAxon formula C35H53ClN2O7 ChemAxon inchi InChI=1S/C35H53ClN2O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-44-31(41)25-21-22-26(36)27(24-25)37-30(40)28(29(39)34(2,3)4)38-32(42)35(5,6)45-33(38)43/h21-22,24,28H,7-20,23H2,1-6H3,(H,37,40) ChemAxon inchikey AXHHFGVVBVHHPY-UHFFFAOYSA-N ChemAxon polar_surface_area 122.57 ChemAxon refractivity 177.47 ChemAxon polarizability 73.81 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72201524f0> 9917562 8093209