tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid

C130H169BCl5F6N9O18 — CID 158733451

IUPACtert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)CCNC(=O)c1ccc(O)cc1.CCCCCCC(=COC)c1ccc(Cl)nc1.CCCCCCC(=O)c1ccc(Cl)nc1.CCCCCCC(C=O)c1ccc(Cl)nc1.CCCCCCC(CO)c1ccc(Cl)nc1.CCCCCCC(COc1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCCC(COc1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1)c1ccc(Cl)nc1.OB(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H33F3N2O4.C27H37ClN2O4.C14H20ClNO.C14H19NO4.C13H20ClNO.C13H18ClNO.C12H16ClNO.C7H6BF3O2/c1-2-3-4-5-6-24(20-39-26-14-9-22(10-15-26)29(38)34-18-17-28(36)37)23-11-16-27(35-19-23)21-7-12-25(13-8-21)30(31,32)33;1-5-6-7-8-9-22(21-12-15-24(28)30-18-21)19-33-23-13-10-20(11-14-23)26(32)29-17-16-25(31)34-27(2,3)4;1-3-4-5-6-7-13(11-17-2)12-8-9-14(15)16-10-12;1-14(2,3)19-12(17)8-9-15-13(18)10-4-6-11(16)7-5-10;2*1-2-3-4-5-6-12(10-16)11-7-8-13(14)15-9-11;1-2-3-4-5-6-11(15)10-7-8-12(13)14-9-10;9-7(10,11)5-1-3-6(4-2-5)8(12)13/h7-16,19,24H,2-6,17-18,20H2,1H3,(H,34,38)(H,36,37);10-15,18,22H,5-9,16-17,19H2,1-4H3,(H,29,32);8-11H,3-7H2,1-2H3;4-7,16H,8-9H2,1-3H3,(H,15,18);7-9,12,16H,2-6,10H2,1H3;7-10,12H,2-6H2,1H3;7-9H,2-6H2,1H3;1-4,12-13H
InChIKeyILJNCAWYUZSAJI-UHFFFAOYSA-N
MW2447.89 g/mol
LogP32.02
Rot. Bonds59

About tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid

tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid (PubChem CID 158733451) has the molecular formula C130H169BCl5F6N9O18 and a molecular weight of 2447.89 g/mol. Its IUPAC name is tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Nametert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid
PubChem CID158733451
Molecular FormulaC130H169BCl5F6N9O18
Molecular Weight2447.89 g/mol
Exact Mass2444.10
IUPAC Nametert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)CCNC(=O)c1ccc(O)cc1.CCCCCCC(=COC)c1ccc(Cl)nc1.CCCCCCC(=O)c1ccc(Cl)nc1.CCCCCCC(C=O)c1ccc(Cl)nc1.CCCCCCC(CO)c1ccc(Cl)nc1.CCCCCCC(COc1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCCC(COc1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1)c1ccc(Cl)nc1.OB(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H33F3N2O4.C27H37ClN2O4.C14H20ClNO.C14H19NO4.C13H20ClNO.C13H18ClNO.C12H16ClNO.C7H6BF3O2/c1-2-3-4-5-6-24(20-39-26-14-9-22(10-15-26)29(38)34-18-17-28(36)37)23-11-16-27(35-19-23)21-7-12-25(13-8-21)30(31,32)33;1-5-6-7-8-9-22(21-12-15-24(28)30-18-21)19-33-23-13-10-20(11-14-23)26(32)29-17-16-25(31)34-27(2,3)4;1-3-4-5-6-7-13(11-17-2)12-8-9-14(15)16-10-12;1-14(2,3)19-12(17)8-9-15-13(18)10-4-6-11(16)7-5-10;2*1-2-3-4-5-6-12(10-16)11-7-8-13(14)15-9-11;1-2-3-4-5-6-11(15)10-7-8-12(13)14-9-10;9-7(10,11)5-1-3-6(4-2-5)8(12)13/h7-16,19,24H,2-6,17-18,20H2,1H3,(H,34,38)(H,36,37);10-15,18,22H,5-9,16-17,19H2,1-4H3,(H,29,32);8-11H,3-7H2,1-2H3;4-7,16H,8-9H2,1-3H3,(H,15,18);7-9,12,16H,2-6,10H2,1H3;7-10,12H,2-6H2,1H3;7-9H,2-6H2,1H3;1-4,12-13H
InChIKeyILJNCAWYUZSAJI-UHFFFAOYSA-N
XLogP32.02
TPSA397.29 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds59
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002447.89
LogP ≤ 532.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

Tert-butyl 3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoate;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoic acid
CID 87417688
Tert-butyl 3-[[4-[2-(6-chloropyridin-3-yl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoate
CID 87417772
5-Chloropyridine-2-carbonyl chloride;6-chloro-5-(trifluoromethyl)pyridine-3-carbaldehyde;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(5-chloropyridine-2-carbonyl)-propan-2-ylamino]benzoate;methyl 2-[(5-chloropyridine-2-carbonyl)-propan-2-ylamino]-5-[[5-formyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(5-chloropyridine-2-carbonyl)-propan-2-ylamino]-5-[[5-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 5-[[5-formyl-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-(propan-2-ylamino)benzoate;methyl 5-hydroxy-2-(propan-2-ylamino)benzoate
CID 158768517
4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
CID 159139906
4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
CID 159774847
4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
CID 162249527
sodium;(2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-4-[6-(4-chlorophenyl)-3-pyridinyl]-2-(hydroxymethyl)-N-methyl-4-oxobutanamide;(4-chlorophenyl)boronic acid;6-(4-chlorophenyl)pyridine-3-carboxylic acid;methyl 6-(4-chlorophenyl)pyridine-3-carboxylate;methyl 6-chloropyridine-3-carboxylate;hydroxide
CID 157331638
N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
CID 158319234
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine
CID 158760675
lithium;(2S)-2-aminochloranuidyl-N-methoxy-N-methylpent-4-enamide;but-3-en-1-ol;2-(3-but-3-enoxyphenyl)-N-[(2S)-1-[methoxy(methyl)amino]-1-oxopent-4-en-2-yl]pyridine-3-carboxamide;2-(3-but-3-enoxyphenyl)pyridine-3-carboxylic acid;(3-hydroxyphenyl)boronic acid;(10S)-N-methoxy-N-methyl-8-oxo-16-oxa-3,9-diazatricyclo[15.3.1.02,7]henicosa-1(21),2(7),3,5,12,17,19-heptaene-10-carboxamide;(10S)-N-methoxy-N-methyl-8-oxo-16-oxa-3,9-diazatricyclo[15.3.1.02,7]henicosa-1(21),2(7),3,5,17,19-hexaene-10-carboxamide;methyl 2-(3-but-3-enoxyphenyl)pyridine-3-carboxylate;methyl 2-chloropyridine-3-carboxylate;methyl 2-(3-hydroxyphenyl)pyridine-3-carboxylate;molecular hydrogen;(10S)-8-oxo-16-oxa-3,9-diazatricyclo[15.3.1.02,7]henicosa-1(21),2(7),3,5,12,17,19-heptaene-10-carbaldehyde;(10S)-8-oxo-16-oxa-3,9-diazatricyclo[15.3.1.02,7]henicosa-1(21),2(7),3,5,17,19-hexaene-10-carbaldehyde;hydroxide
CID 160924443
2-[4-(3-chlorophenyl)phenyl]-N-[(3-fluorophenyl)methyl]acetamide;2-[6-(2-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-(3-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-(4-ethylphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;N-[(3-fluorophenyl)methyl]-2-(4-pyridin-2-ylphenyl)acetamide;N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylphenyl)acetamide;2-[6-(3-fluorophenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-(4-fluorophenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;4-[5-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-pyridinyl]benzoic acid
CID 161324947
CID 162205146
CID 162205146

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid?
The IUPAC name of tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid (CID 158733451) is tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid.
What is the SMILES notation for tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid?
The canonical SMILES for tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid is CC(C)(C)OC(=O)CCNC(=O)c1ccc(O)cc1.CCCCCCC(=COC)c1ccc(Cl)nc1.CCCCCCC(=O)c1ccc(Cl)nc1.CCCCCCC(C=O)c1ccc(Cl)nc1.CCCCCCC(CO)c1ccc(Cl)nc1.CCCCCCC(COc1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCCC(COc1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1)c1ccc(Cl)nc1.OB(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid?
The InChIKey is ILJNCAWYUZSAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N2O4.C27H37ClN2O4.C14H20ClNO.C14H19NO4.C13H20ClNO.C13H18ClNO.C12H16ClNO.C7H6BF3O2/c1-2-3-4-5-6-24(20-39-26-14-9-22(10-15-26)29(38)34-18-17-28(36)37)23-11-16-27(35-19-23)21-7-12-25(13-8-21)30(31,32)33;1-5-6-7-8-9-22(21-12-15-24(28)30-18-21)19-33-23-13-10-20(11-14-23)26(32)29-17-16-25(31)34-27(2,3)4;1-3-4-5-6-7-13(11-17-2)12-8-9-14(15)16-10-12;1-14(2,3)19-12(17)8-9-15-13(18)10-4-6-11(16)7-5-10;2*1-2-3-4-5-6-12(10-16)11-7-8-13(14)15-9-11;1-2-3-4-5-6-11(15)10-7-8-12(13)14-9-10;9-7(10,11)5-1-3-6(4-2-5)8(12)13/h7-16,19,24H,2-6,17-18,20H2,1H3,(H,34,38)(H,36,37);10-15,18,22H,5-9,16-17,19H2,1-4H3,(H,29,32);8-11H,3-7H2,1-2H3;4-7,16H,8-9H2,1-3H3,(H,15,18);7-9,12,16H,2-6,10H2,1H3;7-10,12H,2-6H2,1H3;7-9H,2-6H2,1H3;1-4,12-13H.
What are the key properties of tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid?
tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid has a molecular weight of 2447.89 g/mol, XLogP of 32.02, 59 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-[2-(6-chloro-3-pyridinyl)octoxy]benzoyl]amino]propanoate;tert-butyl 3-[(4-hydroxybenzoyl)amino]propanoate;2-chloro-5-(1-methoxyoct-1-en-2-yl)pyridine;1-(6-chloro-3-pyridinyl)heptan-1-one;2-(6-chloro-3-pyridinyl)octanal;2-(6-chloro-3-pyridinyl)octan-1-ol;[4-(trifluoromethyl)phenyl]boronic acid;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]octoxy]benzoyl]amino]propanoic acid is sourced from PubChem (CID 158733451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).