1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate

C136H139FN12O19 — CID 161181361

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate (PubChem CID 161181361) has the molecular formula C136H139FN12O19 and a molecular weight of 2264.67 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate
• PubChem CID: 161181361
• Molecular Formula: C136H139FN12O19
• Molecular Weight: 2264.67 g/mol
• Exact Mass: 2263.03
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate
• SMILES: CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.CCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CCOCC2)cc1.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)c1.O=C(Nc1cc(F)c2[nH]c(C3CC3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc2cc[nH]c12)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C25H28N2O3.C25H30N2O3.C23H26N2O2.C22H19FN2O3.C22H20N2O5.C19H16N2O3/c1-5-15-10-18(11-16-12-21(24(2,3)4)27-22(15)16)26-23(28)25(8-9-25)17-6-7-19-20(13-17)30-14-29-19;1-24(2,3)22-16-17-15-19(7-10-21(17)27-22)26-23(28)25(11-13-30-14-12-25)18-5-8-20(29-4)9-6-18;1-22(2,3)20-13-15-12-17(8-9-19(15)25-20)24-21(26)23(10-11-23)16-6-5-7-18(14-16)27-4;23-16-10-15(7-13-8-17(12-1-2-12)25-20(13)16)24-21(26)22(5-6-22)14-3-4-18-19(9-14)28-11-27-18;1-2-27-20(25)15-9-13-5-8-23-16(13)11-17(15)24-21(26)22(6-7-22)14-3-4-18-19(10-14)29-12-28-18;22-18(21-14-3-1-2-12-6-9-20-17(12)14)19(7-8-19)13-4-5-15-16(10-13)24-11-23-15/h6-7,10-13,27H,5,8-9,14H2,1-4H3,(H,26,28);5-10,15-16,27H,11-14H2,1-4H3,(H,26,28);5-9,12-14,25H,10-11H2,1-4H3,(H,24,26);3-4,7-10,12,25H,1-2,5-6,11H2,(H,24,26);3-5,8-11,23H,2,6-7,12H2,1H3,(H,24,26);1-6,9-10,20H,7-8,11H2,(H,21,22)
• InChIKey: USMQURIXXSRRQW-UHFFFAOYSA-N
• XLogP: 27.63
• TPSA: 397.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2264.67
LogP ≤ 5	27.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate (CID 161181361) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate is CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.CCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CCOCC2)cc1.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)c1.O=C(Nc1cc(F)c2[nH]c(C3CC3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc2cc[nH]c12)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate?

The InChIKey is USMQURIXXSRRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3.C25H30N2O3.C23H26N2O2.C22H19FN2O3.C22H20N2O5.C19H16N2O3/c1-5-15-10-18(11-16-12-21(24(2,3)4)27-22(15)16)26-23(28)25(8-9-25)17-6-7-19-20(13-17)30-14-29-19;1-24(2,3)22-16-17-15-19(7-10-21(17)27-22)26-23(28)25(11-13-30-14-12-25)18-5-8-20(29-4)9-6-18;1-22(2,3)20-13-15-12-17(8-9-19(15)25-20)24-21(26)23(10-11-23)16-6-5-7-18(14-16)27-4;23-16-10-15(7-13-8-17(12-1-2-12)25-20(13)16)24-21(26)22(5-6-22)14-3-4-18-19(9-14)28-11-27-18;1-2-27-20(25)15-9-13-5-8-23-16(13)11-17(15)24-21(26)22(6-7-22)14-3-4-18-19(10-14)29-12-28-18;22-18(21-14-3-1-2-12-6-9-20-17(12)14)19(7-8-19)13-4-5-15-16(10-13)24-11-23-15/h6-7,10-13,27H,5,8-9,14H2,1-4H3,(H,26,28);5-10,15-16,27H,11-14H2,1-4H3,(H,26,28);5-9,12-14,25H,10-11H2,1-4H3,(H,24,26);3-4,7-10,12,25H,1-2,5-6,11H2,(H,24,26);3-5,8-11,23H,2,6-7,12H2,1H3,(H,24,26);1-6,9-10,20H,7-8,11H2,(H,21,22).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate has a molecular weight of 2264.67 g/mol, XLogP of 27.63, 24 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate is sourced from PubChem (CID 161181361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).