1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide

C116H118FN11O18 — CID 158607954

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide (PubChem CID 158607954) has the molecular formula C116H118FN11O18 and a molecular weight of 1973.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide
• PubChem CID: 158607954
• Molecular Formula: C116H118FN11O18
• Molecular Weight: 1973.28 g/mol
• Exact Mass: 1971.86
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CCCO.CCc1cc2cc[nH]c2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.CN(C)C(=O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CN(C)C(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.O=C(Cc1ccc2cc[nH]c2c1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C27H31N3O4.C26H29FN2O4.C22H21N3O4.C21H20N2O3.C20H17NO3/c1-26(2,3)23-13-17-12-19(7-8-20(17)30(23)15-24(31)29(4)5)28-25(32)27(10-11-27)18-6-9-21-22(14-18)34-16-33-21;1-25(2,3)23-12-16-11-19(18(27)14-20(16)29(23)9-4-10-30)28-24(31)26(7-8-26)17-5-6-21-22(13-17)33-15-32-21;1-25(2)20(26)17-10-13-9-15(4-5-16(13)24-17)23-21(27)22(7-8-22)14-3-6-18-19(11-14)29-12-28-18;1-2-13-9-14-5-8-22-16(14)11-17(13)23-20(24)21(6-7-21)15-3-4-18-19(10-15)26-12-25-18;22-19(10-13-1-2-14-5-8-21-16(14)9-13)20(6-7-20)15-3-4-17-18(11-15)24-12-23-17/h6-9,12-14H,10-11,15-16H2,1-5H3,(H,28,32);5-6,11-14,30H,4,7-10,15H2,1-3H3,(H,28,31);3-6,9-11,24H,7-8,12H2,1-2H3,(H,23,27);3-5,8-11,22H,2,6-7,12H2,1H3,(H,23,24);1-5,8-9,11,21H,6-7,10,12H2
• InChIKey: HWLWFEWHGBZLNR-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 343.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1973.28
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide (CID 158607954) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CCCO.CCc1cc2cc[nH]c2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.CN(C)C(=O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CN(C)C(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.O=C(Cc1ccc2cc[nH]c2c1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide?

The InChIKey is HWLWFEWHGBZLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4.C26H29FN2O4.C22H21N3O4.C21H20N2O3.C20H17NO3/c1-26(2,3)23-13-17-12-19(7-8-20(17)30(23)15-24(31)29(4)5)28-25(32)27(10-11-27)18-6-9-21-22(14-18)34-16-33-21;1-25(2,3)23-12-16-11-19(18(27)14-20(16)29(23)9-4-10-30)28-24(31)26(7-8-26)17-5-6-21-22(13-17)33-15-32-21;1-25(2)20(26)17-10-13-9-15(4-5-16(13)24-17)23-21(27)22(7-8-22)14-3-6-18-19(11-14)29-12-28-18;1-2-13-9-14-5-8-22-16(14)11-17(13)23-20(24)21(6-7-21)15-3-4-18-19(10-15)26-12-25-18;22-19(10-13-1-2-14-5-8-21-16(14)9-13)20(6-7-20)15-3-4-17-18(11-15)24-12-23-17/h6-9,12-14H,10-11,15-16H2,1-5H3,(H,28,32);5-6,11-14,30H,4,7-10,15H2,1-3H3,(H,28,31);3-6,9-11,24H,7-8,12H2,1-2H3,(H,23,27);3-5,8-11,22H,2,6-7,12H2,1H3,(H,23,24);1-5,8-9,11,21H,6-7,10,12H2.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 1973.28 g/mol, XLogP of 20.42, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-indol-6-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1H-indol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158607954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).