ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

C143H197ClF5N15O23 — CID 162204183

IUPACethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)c(C)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)cc1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)c(F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)cc1C(F)(F)F)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc3c(c1)CCO3)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccccn1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccco1)C2
InChIInChI=1S/C22H30N2O4.C22H32N2O3.C21H26F4N2O3.C21H30N2O3.C20H26ClFN2O3.C19H27N3O3.C18H26N2O4/c1-2-27-22(26)24-18-6-7-19(24)13-15(12-18)4-3-10-23-21(25)17-5-8-20-16(14-17)9-11-28-20;1-4-27-22(26)24-19-9-10-20(24)14-17(13-19)6-5-11-23-21(25)18-8-7-15(2)16(3)12-18;1-2-30-20(29)27-15-6-7-16(27)11-13(10-15)4-3-9-26-19(28)17-8-5-14(22)12-18(17)21(23,24)25;1-3-26-21(25)23-18-10-11-19(23)14-16(13-18)5-4-12-22-20(24)17-8-6-15(2)7-9-17;1-2-27-20(26)24-15-6-7-16(24)11-13(10-15)4-3-9-23-19(25)14-5-8-17(21)18(22)12-14;1-2-25-19(24)22-15-8-9-16(22)13-14(12-15)6-5-11-21-18(23)17-7-3-4-10-20-17;1-2-23-18(22)20-14-7-8-15(20)12-13(11-14)5-3-9-19-17(21)16-6-4-10-24-16/h5,8,14-15,18-19H,2-4,6-7,9-13H2,1H3,(H,23,25);7-8,12,17,19-20H,4-6,9-11,13-14H2,1-3H3,(H,23,25);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,26,28);6-9,16,18-19H,3-5,10-14H2,1-2H3,(H,22,24);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,23,25);3-4,7,10,14-16H,2,5-6,8-9,11-13H2,1H3,(H,21,23);4,6,10,13-15H,2-3,5,7-9,11-12H2,1H3,(H,19,21)
InChIKeyZRYYDFNLRSLSLQ-UHFFFAOYSA-N
MW2624.67 g/mol
LogP26.97
Rot. Bonds42

About ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 162204183) has the molecular formula C143H197ClF5N15O23 and a molecular weight of 2624.67 g/mol. Its IUPAC name is ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID162204183
Molecular FormulaC143H197ClF5N15O23
Molecular Weight2624.67 g/mol
Exact Mass2622.43
IUPAC Nameethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)c(C)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)cc1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)c(F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)cc1C(F)(F)F)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc3c(c1)CCO3)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccccn1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccco1)C2
InChIInChI=1S/C22H30N2O4.C22H32N2O3.C21H26F4N2O3.C21H30N2O3.C20H26ClFN2O3.C19H27N3O3.C18H26N2O4/c1-2-27-22(26)24-18-6-7-19(24)13-15(12-18)4-3-10-23-21(25)17-5-8-20-16(14-17)9-11-28-20;1-4-27-22(26)24-19-9-10-20(24)14-17(13-19)6-5-11-23-21(25)18-8-7-15(2)16(3)12-18;1-2-30-20(29)27-15-6-7-16(27)11-13(10-15)4-3-9-26-19(28)17-8-5-14(22)12-18(17)21(23,24)25;1-3-26-21(25)23-18-10-11-19(23)14-16(13-18)5-4-12-22-20(24)17-8-6-15(2)7-9-17;1-2-27-20(26)24-15-6-7-16(24)11-13(10-15)4-3-9-23-19(25)14-5-8-17(21)18(22)12-14;1-2-25-19(24)22-15-8-9-16(22)13-14(12-15)6-5-11-21-18(23)17-7-3-4-10-20-17;1-2-23-18(22)20-14-7-8-15(20)12-13(11-14)5-3-9-19-17(21)16-6-4-10-24-16/h5,8,14-15,18-19H,2-4,6-7,9-13H2,1H3,(H,23,25);7-8,12,17,19-20H,4-6,9-11,13-14H2,1-3H3,(H,23,25);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,26,28);6-9,16,18-19H,3-5,10-14H2,1-2H3,(H,22,24);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,23,25);3-4,7,10,14-16H,2,5-6,8-9,11-13H2,1H3,(H,21,23);4,6,10,13-15H,2-3,5,7-9,11-12H2,1H3,(H,19,21)
InChIKeyZRYYDFNLRSLSLQ-UHFFFAOYSA-N
XLogP26.97
TPSA445.74 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002624.67
LogP ≤ 526.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione
CID 160819230
5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 159105142

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 162204183) is ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)c(C)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)cc1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)c(F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)cc1C(F)(F)F)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc3c(c1)CCO3)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccccn1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccco1)C2.
What is the InChIKey of ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is ZRYYDFNLRSLSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4.C22H32N2O3.C21H26F4N2O3.C21H30N2O3.C20H26ClFN2O3.C19H27N3O3.C18H26N2O4/c1-2-27-22(26)24-18-6-7-19(24)13-15(12-18)4-3-10-23-21(25)17-5-8-20-16(14-17)9-11-28-20;1-4-27-22(26)24-19-9-10-20(24)14-17(13-19)6-5-11-23-21(25)18-8-7-15(2)16(3)12-18;1-2-30-20(29)27-15-6-7-16(27)11-13(10-15)4-3-9-26-19(28)17-8-5-14(22)12-18(17)21(23,24)25;1-3-26-21(25)23-18-10-11-19(23)14-16(13-18)5-4-12-22-20(24)17-8-6-15(2)7-9-17;1-2-27-20(26)24-15-6-7-16(24)11-13(10-15)4-3-9-23-19(25)14-5-8-17(21)18(22)12-14;1-2-25-19(24)22-15-8-9-16(22)13-14(12-15)6-5-11-21-18(23)17-7-3-4-10-20-17;1-2-23-18(22)20-14-7-8-15(20)12-13(11-14)5-3-9-19-17(21)16-6-4-10-24-16/h5,8,14-15,18-19H,2-4,6-7,9-13H2,1H3,(H,23,25);7-8,12,17,19-20H,4-6,9-11,13-14H2,1-3H3,(H,23,25);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,26,28);6-9,16,18-19H,3-5,10-14H2,1-2H3,(H,22,24);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,23,25);3-4,7,10,14-16H,2,5-6,8-9,11-13H2,1H3,(H,21,23);4,6,10,13-15H,2-3,5,7-9,11-12H2,1H3,(H,19,21).
What are the key properties of ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 2624.67 g/mol, XLogP of 26.97, 42 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(4-chloro-3-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(2,3-dihydro-1-benzofuran-5-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dimethylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(furan-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 162204183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).