1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C168H195ClF4N16O22 — CID 158151140

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4cc(F)c5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(O)c4)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc3[nH]2)CC1.CN(CCO)C(=O)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.COc1cccc(C2(C(=O)Nc3cc(F)c4[nH]c(C(C)(C)C)cc4c3)CC2)c1.Cc1noc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N2O5.C26H29N3O5.C24H25N3O2.C23H20F2N2O3.C23H23FN2O3.C23H25FN2O2.C22H23ClN2O2.9H2/c1-26(2,3)24-12-17-11-19(6-7-21(17)29(24)14-20(30)15-32-4)28-25(31)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-25(2,24(32)29(3)10-11-30)22-13-16-12-18(5-6-19(16)28-22)27-23(31)26(8-9-26)17-4-7-20-21(14-17)34-15-33-20;1-14-18-13-16(5-8-20(18)29-27-14)24(9-10-24)22(28)25-17-6-7-19-15(11-17)12-21(26-19)23(2,3)4;1-21(6-7-21)19-11-13-10-15(3-4-16(13)27-19)26-20(28)22(8-9-22)14-2-5-17-18(12-14)30-23(24,25)29-17;1-22(2,3)19-9-13-8-15(4-5-17(13)26-19)25-21(27)23(6-7-23)14-10-16(24)20-18(11-14)28-12-29-20;1-22(2,3)19-11-14-10-16(13-18(24)20(14)26-19)25-21(27)23(8-9-23)15-6-5-7-17(12-15)28-4;1-21(2,3)19-11-13-10-15(5-7-17(13)25-19)24-20(27)22(8-9-22)14-4-6-16(23)18(26)12-14;;;;;;;;;/h5-8,11-13,20,30H,9-10,14-16H2,1-4H3,(H,28,31);4-7,12-14,28,30H,8-11,15H2,1-3H3,(H,27,31);5-8,11-13,26H,9-10H2,1-4H3,(H,25,28);2-5,10-12,27H,6-9H2,1H3,(H,26,28);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);5-7,10-13,26H,8-9H2,1-4H3,(H,25,27);4-7,10-12,25-26H,8-9H2,1-3H3,(H,24,27);9*1H
InChIKeyFVCXSBKGNCJFRJ-UHFFFAOYSA-N
MW2901.94 g/mol
LogP36.43
Rot. Bonds31

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158151140) has the molecular formula C168H195ClF4N16O22 and a molecular weight of 2901.94 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158151140
Molecular FormulaC168H195ClF4N16O22
Molecular Weight2901.94 g/mol
Exact Mass2899.43
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4cc(F)c5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(O)c4)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc3[nH]2)CC1.CN(CCO)C(=O)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.COc1cccc(C2(C(=O)Nc3cc(F)c4[nH]c(C(C)(C)C)cc4c3)CC2)c1.Cc1noc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N2O5.C26H29N3O5.C24H25N3O2.C23H20F2N2O3.C23H23FN2O3.C23H25FN2O2.C22H23ClN2O2.9H2/c1-26(2,3)24-12-17-11-19(6-7-21(17)29(24)14-20(30)15-32-4)28-25(31)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-25(2,24(32)29(3)10-11-30)22-13-16-12-18(5-6-19(16)28-22)27-23(31)26(8-9-26)17-4-7-20-21(14-17)34-15-33-20;1-14-18-13-16(5-8-20(18)29-27-14)24(9-10-24)22(28)25-17-6-7-19-15(11-17)12-21(26-19)23(2,3)4;1-21(6-7-21)19-11-13-10-15(3-4-16(13)27-19)26-20(28)22(8-9-22)14-2-5-17-18(12-14)30-23(24,25)29-17;1-22(2,3)19-9-13-8-15(4-5-17(13)26-19)25-21(27)23(6-7-23)14-10-16(24)20-18(11-14)28-12-29-20;1-22(2,3)19-11-14-10-16(13-18(24)20(14)26-19)25-21(27)23(8-9-23)15-6-5-7-17(12-15)28-4;1-21(2,3)19-11-13-10-15(5-7-17(13)25-19)24-20(27)22(8-9-22)14-4-6-16(23)18(26)12-14;;;;;;;;;/h5-8,11-13,20,30H,9-10,14-16H2,1-4H3,(H,28,31);4-7,12-14,28,30H,8-11,15H2,1-3H3,(H,27,31);5-8,11-13,26H,9-10H2,1-4H3,(H,25,28);2-5,10-12,27H,6-9H2,1H3,(H,26,28);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);5-7,10-13,26H,8-9H2,1-4H3,(H,25,27);4-7,10-12,25-26H,8-9H2,1-3H3,(H,24,27);9*1H
InChIKeyFVCXSBKGNCJFRJ-UHFFFAOYSA-N
XLogP36.43
TPSA502.70 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.94
LogP ≤ 536.43
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158151140) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4cc(F)c5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(O)c4)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc3[nH]2)CC1.CN(CCO)C(=O)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.COc1cccc(C2(C(=O)Nc3cc(F)c4[nH]c(C(C)(C)C)cc4c3)CC2)c1.Cc1noc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is FVCXSBKGNCJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5.C26H29N3O5.C24H25N3O2.C23H20F2N2O3.C23H23FN2O3.C23H25FN2O2.C22H23ClN2O2.9H2/c1-26(2,3)24-12-17-11-19(6-7-21(17)29(24)14-20(30)15-32-4)28-25(31)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-25(2,24(32)29(3)10-11-30)22-13-16-12-18(5-6-19(16)28-22)27-23(31)26(8-9-26)17-4-7-20-21(14-17)34-15-33-20;1-14-18-13-16(5-8-20(18)29-27-14)24(9-10-24)22(28)25-17-6-7-19-15(11-17)12-21(26-19)23(2,3)4;1-21(6-7-21)19-11-13-10-15(3-4-16(13)27-19)26-20(28)22(8-9-22)14-2-5-17-18(12-14)30-23(24,25)29-17;1-22(2,3)19-9-13-8-15(4-5-17(13)26-19)25-21(27)23(6-7-23)14-10-16(24)20-18(11-14)28-12-29-20;1-22(2,3)19-11-14-10-16(13-18(24)20(14)26-19)25-21(27)23(8-9-23)15-6-5-7-17(12-15)28-4;1-21(2,3)19-11-13-10-15(5-7-17(13)25-19)24-20(27)22(8-9-22)14-4-6-16(23)18(26)12-14;;;;;;;;;/h5-8,11-13,20,30H,9-10,14-16H2,1-4H3,(H,28,31);4-7,12-14,28,30H,8-11,15H2,1-3H3,(H,27,31);5-8,11-13,26H,9-10H2,1-4H3,(H,25,28);2-5,10-12,27H,6-9H2,1H3,(H,26,28);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);5-7,10-13,26H,8-9H2,1-4H3,(H,25,27);4-7,10-12,25-26H,8-9H2,1-3H3,(H,24,27);9*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2901.94 g/mol, XLogP of 36.43, 31 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158151140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).