tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol

C136H154N16O21S2 — CID 159479862

IUPACtert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)OC(=O)Cc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.Cn1cnc2ccc(-c3cccc(OC[C@@H](O)CN4Cc5ccccc5C4)c3)cc21.O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H25N3O2.C24H30N2O4.C23H25N3O3.C23H23N3O2.C21H27N3O5S.C20H24N2O5S/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24(2,3)30-22(28)12-17-7-6-10-18(11-17)23(29)25-13-21(27)16-26-14-19-8-4-5-9-20(19)15-26;1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22;1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-12,17,22,29H,13-16H2,1H3;4-11,21,27H,12-16H2,1-3H3,(H,25,29);2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-12,21,27H,13-16H2,(H,25,28);3-10,18,25H,11-15H2,1-2H3,(H,22,26);2-9,17,23H,10-14H2,1H3,(H,21,24)/t22-;;16-,20+;;;/m0.0.../s1
InChIKeyLWWCOGAPYWEEDT-SEBDWPKGSA-N
MW2412.95 g/mol
LogP13.79
Rot. Bonds43

About tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol

tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol (PubChem CID 159479862) has the molecular formula C136H154N16O21S2 and a molecular weight of 2412.95 g/mol. Its IUPAC name is tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Nametert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
PubChem CID159479862
Molecular FormulaC136H154N16O21S2
Molecular Weight2412.95 g/mol
Exact Mass2411.09
IUPAC Nametert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)OC(=O)Cc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.Cn1cnc2ccc(-c3cccc(OC[C@@H](O)CN4Cc5ccccc5C4)c3)cc21.O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H25N3O2.C24H30N2O4.C23H25N3O3.C23H23N3O2.C21H27N3O5S.C20H24N2O5S/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24(2,3)30-22(28)12-17-7-6-10-18(11-17)23(29)25-13-21(27)16-26-14-19-8-4-5-9-20(19)15-26;1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22;1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-12,17,22,29H,13-16H2,1H3;4-11,21,27H,12-16H2,1-3H3,(H,25,29);2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-12,21,27H,13-16H2,(H,25,28);3-10,18,25H,11-15H2,1-2H3,(H,22,26);2-9,17,23H,10-14H2,1H3,(H,21,24)/t22-;;16-,20+;;;/m0.0.../s1
InChIKeyLWWCOGAPYWEEDT-SEBDWPKGSA-N
XLogP13.79
TPSA464.66 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds43
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002412.95
LogP ≤ 513.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 158108803
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(3-pyridin-2-ylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 159534710
tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161139973
1-[3-(2-cyclopentylethyl)phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161796985
tert-butyl N-[3-[5-(1,3-dihydroisoindol-2-yl)-4-hydroxypentanoyl]phenyl]carbamate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;5-(1,3-dihydroisoindol-2-yl)-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-1-one;1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161839549

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The IUPAC name of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol (CID 159479862) is tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol.
What is the SMILES notation for tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The canonical SMILES for tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol is CC(C)(C)OC(=O)Cc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.Cn1cnc2ccc(-c3cccc(OC[C@@H](O)CN4Cc5ccccc5C4)c3)cc21.O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1.
What is the InChIKey of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The InChIKey is LWWCOGAPYWEEDT-SEBDWPKGSA-N. The full InChI is InChI=1S/C25H25N3O2.C24H30N2O4.C23H25N3O3.C23H23N3O2.C21H27N3O5S.C20H24N2O5S/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24(2,3)30-22(28)12-17-7-6-10-18(11-17)23(29)25-13-21(27)16-26-14-19-8-4-5-9-20(19)15-26;1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22;1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-12,17,22,29H,13-16H2,1H3;4-11,21,27H,12-16H2,1-3H3,(H,25,29);2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-12,21,27H,13-16H2,(H,25,28);3-10,18,25H,11-15H2,1-2H3,(H,22,26);2-9,17,23H,10-14H2,1H3,(H,21,24)/t22-;;16-,20+;;;/m0.0.../s1.
What are the key properties of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol has a molecular weight of 2412.95 g/mol, XLogP of 13.79, 43 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 159479862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).