N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

C128H156F3N17O16 — CID 158574785

About N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158574785) has the molecular formula C128H156F3N17O16 and a molecular weight of 2245.75 g/mol. Its IUPAC name is N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158574785
• Molecular Formula: C128H156F3N17O16
• Molecular Weight: 2245.75 g/mol
• Exact Mass: 2244.19
• IUPAC Name: N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)NCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1C1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCc1nn[nH]n1.Cn1cnc2cc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H31F2N3O5.C28H31FN2O4.C26H28N6O3.C24H26N4O.C22H24N2O3.8H2/c1-16(34)31-14-20(35)15-33-21-7-6-19(11-17(21)12-24(33)26(2,3)4)32-25(36)27(9-10-27)18-5-8-22-23(13-18)38-28(29,30)37-22;1-27(2,3)25-13-17-12-21(20(29)15-22(17)31(25)19-6-10-33-11-7-19)30-26(32)28(8-9-28)18-4-5-23-24(14-18)35-16-34-23;1-25(2,3)22-13-16-12-18(5-6-19(16)32(22)11-8-23-28-30-31-29-23)27-24(33)26(9-10-26)17-4-7-20-21(14-17)35-15-34-20;1-23(2,3)21-12-15-11-17(6-7-18(15)27-21)26-22(29)24(9-10-24)16-5-8-20-19(13-16)25-14-28(20)4;1-21(2,3)19-11-13-10-15(5-6-16(13)24-19)23-20(27)22(8-9-22)14-4-7-17(25)18(26)12-14;;;;;;;;/h5-8,11-13,20,35H,9-10,14-15H2,1-4H3,(H,31,34)(H,32,36);4-5,12-15,19H,6-11,16H2,1-3H3,(H,30,32);4-7,12-14H,8-11,15H2,1-3H3,(H,27,33)(H,28,29,30,31);5-8,11-14,27H,9-10H2,1-4H3,(H,26,29);4-7,10-12,24-26H,8-9H2,1-3H3,(H,23,27);8*1H
• InChIKey: HSNHTGYUFSLCCA-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 418.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.75
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 158574785) is N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)NCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1C1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCc1nn[nH]n1.Cn1cnc2cc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is HSNHTGYUFSLCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N3O5.C28H31FN2O4.C26H28N6O3.C24H26N4O.C22H24N2O3.8H2/c1-16(34)31-14-20(35)15-33-21-7-6-19(11-17(21)12-24(33)26(2,3)4)32-25(36)27(9-10-27)18-5-8-22-23(13-18)38-28(29,30)37-22;1-27(2,3)25-13-17-12-21(20(29)15-22(17)31(25)19-6-10-33-11-7-19)30-26(32)28(8-9-28)18-4-5-23-24(14-18)35-16-34-23;1-25(2,3)22-13-16-12-18(5-6-19(16)32(22)11-8-23-28-30-31-29-23)27-24(33)26(9-10-26)17-4-7-20-21(14-17)35-15-34-20;1-23(2,3)21-12-15-11-17(6-7-18(15)27-21)26-22(29)24(9-10-24)16-5-8-20-19(13-16)25-14-28(20)4;1-21(2,3)19-11-13-10-15(5-6-16(13)24-19)23-20(27)22(8-9-22)14-4-7-17(25)18(26)12-14;;;;;;;;/h5-8,11-13,20,35H,9-10,14-15H2,1-4H3,(H,31,34)(H,32,36);4-5,12-15,19H,6-11,16H2,1-3H3,(H,30,32);4-7,12-14H,8-11,15H2,1-3H3,(H,27,33)(H,28,29,30,31);5-8,11-14,27H,9-10H2,1-4H3,(H,26,29);4-7,10-12,24-26H,8-9H2,1-3H3,(H,23,27);8*1H.

What are the key properties of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2245.75 g/mol, XLogP of 25.89, 23 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158574785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).