ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

C144H193Cl3F8N14O23 — CID 159047658

IUPACethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CCCNC(=O)c1c(F)cccc1F)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)c(F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)c(Cl)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)cc1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)c(OC)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1cccc(OC)c1)C2
InChIInChI=1S/C21H26F4N2O3.C21H29FN2O4.C21H29FN2O3.C21H30N2O4.C20H26Cl2N2O3.C20H27ClN2O3.C20H26F2N2O3/c1-2-30-20(29)27-15-6-7-16(27)11-13(10-15)4-3-9-26-19(28)14-5-8-18(22)17(12-14)21(23,24)25;1-3-28-21(26)24-16-7-8-17(24)12-14(11-16)5-4-10-23-20(25)15-6-9-18(22)19(13-15)27-2;1-3-27-21(26)24-17-8-9-18(24)12-15(11-17)5-4-10-23-20(25)16-7-6-14(2)19(22)13-16;1-3-27-21(25)23-17-9-10-18(23)13-15(12-17)6-5-11-22-20(24)16-7-4-8-19(14-16)26-2;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;1-2-26-20(25)23-17-9-10-18(23)13-14(12-17)4-3-11-22-19(24)15-5-7-16(21)8-6-15;1-2-27-20(26)24-14-8-9-15(24)12-13(11-14)5-4-10-23-19(25)18-16(21)6-3-7-17(18)22/h5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,26,28);6,9,13-14,16-17H,3-5,7-8,10-12H2,1-2H3,(H,23,25);6-7,13,15,17-18H,3-5,8-12H2,1-2H3,(H,23,25);4,7-8,14-15,17-18H,3,5-6,9-13H2,1-2H3,(H,22,24);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,23,25);5-8,14,17-18H,2-4,9-13H2,1H3,(H,22,24);3,6-7,13-15H,2,4-5,8-12H2,1H3,(H,23,25)
InChIKeyJWVYDIQDAUGEFD-UHFFFAOYSA-N
MW2746.55 g/mol
LogP29.17
Rot. Bonds44

About ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 159047658) has the molecular formula C144H193Cl3F8N14O23 and a molecular weight of 2746.55 g/mol. Its IUPAC name is ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID159047658
Molecular FormulaC144H193Cl3F8N14O23
Molecular Weight2746.55 g/mol
Exact Mass2743.33
IUPAC Nameethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CCCNC(=O)c1c(F)cccc1F)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)c(F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)c(Cl)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)cc1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)c(OC)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1cccc(OC)c1)C2
InChIInChI=1S/C21H26F4N2O3.C21H29FN2O4.C21H29FN2O3.C21H30N2O4.C20H26Cl2N2O3.C20H27ClN2O3.C20H26F2N2O3/c1-2-30-20(29)27-15-6-7-16(27)11-13(10-15)4-3-9-26-19(28)14-5-8-18(22)17(12-14)21(23,24)25;1-3-28-21(26)24-16-7-8-17(24)12-14(11-16)5-4-10-23-20(25)15-6-9-18(22)19(13-15)27-2;1-3-27-21(26)24-17-8-9-18(24)12-15(11-17)5-4-10-23-20(25)16-7-6-14(2)19(22)13-16;1-3-27-21(25)23-17-9-10-18(23)13-15(12-17)6-5-11-22-20(24)16-7-4-8-19(14-16)26-2;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;1-2-26-20(25)23-17-9-10-18(23)13-14(12-17)4-3-11-22-19(24)15-5-7-16(21)8-6-15;1-2-27-20(26)24-14-8-9-15(24)12-13(11-14)5-4-10-23-19(25)18-16(21)6-3-7-17(18)22/h5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,26,28);6,9,13-14,16-17H,3-5,7-8,10-12H2,1-2H3,(H,23,25);6-7,13,15,17-18H,3-5,8-12H2,1-2H3,(H,23,25);4,7-8,14-15,17-18H,3,5-6,9-13H2,1-2H3,(H,22,24);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,23,25);5-8,14,17-18H,2-4,9-13H2,1H3,(H,22,24);3,6-7,13-15H,2,4-5,8-12H2,1H3,(H,23,25)
InChIKeyJWVYDIQDAUGEFD-UHFFFAOYSA-N
XLogP29.17
TPSA428.94 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds44
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002746.55
LogP ≤ 529.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

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-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346860
ethyl 3-[3-[(2-chloro-4-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346854
ethyl (1R,5S)-3-[2-[(3,4-difluorobenzoyl)amino]ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70692025
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
N-(4-chloro-2-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 159047658) is ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1c(F)cccc1F)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(C)c(F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)c(Cl)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(Cl)cc1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccc(F)c(OC)c1)C2.CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1cccc(OC)c1)C2.
What is the InChIKey of ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is JWVYDIQDAUGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F4N2O3.C21H29FN2O4.C21H29FN2O3.C21H30N2O4.C20H26Cl2N2O3.C20H27ClN2O3.C20H26F2N2O3/c1-2-30-20(29)27-15-6-7-16(27)11-13(10-15)4-3-9-26-19(28)14-5-8-18(22)17(12-14)21(23,24)25;1-3-28-21(26)24-16-7-8-17(24)12-14(11-16)5-4-10-23-20(25)15-6-9-18(22)19(13-15)27-2;1-3-27-21(26)24-17-8-9-18(24)12-15(11-17)5-4-10-23-20(25)16-7-6-14(2)19(22)13-16;1-3-27-21(25)23-17-9-10-18(23)13-15(12-17)6-5-11-22-20(24)16-7-4-8-19(14-16)26-2;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;1-2-26-20(25)23-17-9-10-18(23)13-14(12-17)4-3-11-22-19(24)15-5-7-16(21)8-6-15;1-2-27-20(26)24-14-8-9-15(24)12-13(11-14)5-4-10-23-19(25)18-16(21)6-3-7-17(18)22/h5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,26,28);6,9,13-14,16-17H,3-5,7-8,10-12H2,1-2H3,(H,23,25);6-7,13,15,17-18H,3-5,8-12H2,1-2H3,(H,23,25);4,7-8,14-15,17-18H,3,5-6,9-13H2,1-2H3,(H,22,24);5,8,12-13,15-16H,2-4,6-7,9-11H2,1H3,(H,23,25);5-8,14,17-18H,2-4,9-13H2,1H3,(H,22,24);3,6-7,13-15H,2,4-5,8-12H2,1H3,(H,23,25).
What are the key properties of ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 2746.55 g/mol, XLogP of 29.17, 44 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(4-chlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3,4-dichlorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(2,6-difluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(4-fluoro-3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-fluoro-4-methylbenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[3-[(3-methoxybenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 159047658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).