N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide

C220H294N20O22 — CID 161368725

IUPACN-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide
SMILESCC(=O)/N=C1\C=C2C(=C\C1=C1\C(=O)C(c3cc4c(cc3NC(C)=O)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCC(C)(C)C(=O)/N=C1\C=C2C(=C\C1=C1\C(=O)C(c3cc4c(cc3NC(=O)C(C)(C)CC)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCCC(C)(C)C(=O)/N=C1\C=C2C(=CC1=C1C(=O)C(c3cc4c(cc3NC(=O)C(C)(C)CCC)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCCCC(CC)C(=O)/N=C1\C=C2C(=CC1=C1C(=O)C(c3cc4c(cc3NC(=O)C(CC)CCCC)N(C(C)C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C(C)C.Cc1ccc(C)c(OCCCC(C)(C)C(=O)/N=C2\C=C3C(=CC2=C2C(=O)C(c4cc5c(cc4NC(=O)C(C)(C)CCCOc4cc(C)ccc4C)N(C)C(C)C5(C)C)=C2O)C(C)(C)C(C)N3C)c1
InChIInChI=1S/C58H74N4O6.C48H70N4O4.C42H58N4O4.C40H54N4O4.C32H38N4O4/c1-33-19-21-35(3)47(27-33)67-25-17-23-55(7,8)53(65)59-43-31-45-41(57(11,12)37(5)61(45)15)29-39(43)49-51(63)50(52(49)64)40-30-42-46(62(16)38(6)58(42,13)14)32-44(40)60-54(66)56(9,10)24-18-26-68-48-28-34(2)20-22-36(48)4;1-15-19-21-31(17-3)45(55)49-37-25-39-35(47(11,12)29(9)51(39)27(5)6)23-33(37)41-43(53)42(44(41)54)34-24-36-40(52(28(7)8)30(10)48(36,13)14)26-38(34)50-46(56)32(18-4)22-20-16-2;1-15-17-39(5,6)37(49)43-29-21-31-27(41(9,10)23(3)45(31)13)19-25(29)33-35(47)34(36(33)48)26-20-28-32(46(14)24(4)42(28,11)12)22-30(26)44-38(50)40(7,8)18-16-2;1-15-37(5,6)35(47)41-27-19-29-25(39(9,10)21(3)43(29)13)17-23(27)31-33(45)32(34(31)46)24-18-26-30(44(14)22(4)40(26,11)12)20-28(24)42-36(48)38(7,8)16-2;1-15-31(5,6)21-11-19(23(33-17(3)37)13-25(21)35(15)9)27-29(39)28(30(27)40)20-12-22-26(14-24(20)34-18(4)38)36(10)16(2)32(22,7)8/h19-22,27-32,37-38,63H,17-18,23-26H2,1-16H3,(H,59,65);23-32,53H,15-22H2,1-14H3,(H,49,55);19-24,47H,15-18H2,1-14H3,(H,43,49);17-22,45H,15-16H2,1-14H3,(H,41,47);11-16,39H,1-10H3,(H,33,37)/b50-40?,60-44+;42-34?,50-38+;34-26?,44-30+;32-24-,42-28+;28-20-,34-24+
InChIKeyWUSCPRDVXRHZRW-OEVOEKTNSA-N
MW3570.89 g/mol
LogP44.76
Rot. Bonds44

About N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide

N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide (PubChem CID 161368725) has the molecular formula C220H294N20O22 and a molecular weight of 3570.89 g/mol. Its IUPAC name is N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide.

Molecular Properties

Compound NameN-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide
PubChem CID161368725
Molecular FormulaC220H294N20O22
Molecular Weight3570.89 g/mol
Exact Mass3568.25
IUPAC NameN-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide
SMILESCC(=O)/N=C1\C=C2C(=C\C1=C1\C(=O)C(c3cc4c(cc3NC(C)=O)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCC(C)(C)C(=O)/N=C1\C=C2C(=C\C1=C1\C(=O)C(c3cc4c(cc3NC(=O)C(C)(C)CC)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCCC(C)(C)C(=O)/N=C1\C=C2C(=CC1=C1C(=O)C(c3cc4c(cc3NC(=O)C(C)(C)CCC)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCCCC(CC)C(=O)/N=C1\C=C2C(=CC1=C1C(=O)C(c3cc4c(cc3NC(=O)C(CC)CCCC)N(C(C)C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C(C)C.Cc1ccc(C)c(OCCCC(C)(C)C(=O)/N=C2\C=C3C(=CC2=C2C(=O)C(c4cc5c(cc4NC(=O)C(C)(C)CCCOc4cc(C)ccc4C)N(C)C(C)C5(C)C)=C2O)C(C)(C)C(C)N3C)c1
InChIInChI=1S/C58H74N4O6.C48H70N4O4.C42H58N4O4.C40H54N4O4.C32H38N4O4/c1-33-19-21-35(3)47(27-33)67-25-17-23-55(7,8)53(65)59-43-31-45-41(57(11,12)37(5)61(45)15)29-39(43)49-51(63)50(52(49)64)40-30-42-46(62(16)38(6)58(42,13)14)32-44(40)60-54(66)56(9,10)24-18-26-68-48-28-34(2)20-22-36(48)4;1-15-19-21-31(17-3)45(55)49-37-25-39-35(47(11,12)29(9)51(39)27(5)6)23-33(37)41-43(53)42(44(41)54)34-24-36-40(52(28(7)8)30(10)48(36,13)14)26-38(34)50-46(56)32(18-4)22-20-16-2;1-15-17-39(5,6)37(49)43-29-21-31-27(41(9,10)23(3)45(31)13)19-25(29)33-35(47)34(36(33)48)26-20-28-32(46(14)24(4)42(28,11)12)22-30(26)44-38(50)40(7,8)18-16-2;1-15-37(5,6)35(47)41-27-19-29-25(39(9,10)21(3)43(29)13)17-23(27)31-33(45)32(34(31)46)24-18-26-30(44(14)22(4)40(26,11)12)20-28(24)42-36(48)38(7,8)16-2;1-15-31(5,6)21-11-19(23(33-17(3)37)13-25(21)35(15)9)27-29(39)28(30(27)40)20-12-22-26(14-24(20)34-18(4)38)36(10)16(2)32(22,7)8/h19-22,27-32,37-38,63H,17-18,23-26H2,1-16H3,(H,59,65);23-32,53H,15-22H2,1-14H3,(H,49,55);19-24,47H,15-18H2,1-14H3,(H,43,49);17-22,45H,15-16H2,1-14H3,(H,41,47);11-16,39H,1-10H3,(H,33,37)/b50-40?,60-44+;42-34?,50-38+;34-26?,44-30+;32-24-,42-28+;28-20-,34-24+
InChIKeyWUSCPRDVXRHZRW-OEVOEKTNSA-N
XLogP44.76
TPSA530.01 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003570.89
LogP ≤ 544.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide with MolForge

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Related Compounds

2-ethyl-N-[5-[(3E)-3-[6-(2-ethylhexanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]hexanamide
CID 134295466
N-[5-[3-[6-(2,2-dimethylpropanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpropanamide
CID 174145724
N-[5-[(3Z)-2-hydroxy-4-oxo-3-[2,3,3-trimethyl-6-[3-(octylsulfonylamino)propanoylimino]-1-propan-2-yl-2H-indol-5-ylidene]cyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]-3-(octylsulfonylamino)propanamide
CID 153489078
N',N'-dibutyl-N-[5-[(3E)-3-[(6E)-6-[[2-(dibutylamino)-2-oxoethyl]carbamoylimino]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]butanediamide
CID 153489112
2,2,2-trifluoro-N-[5-[(3E)-2-hydroxy-4-oxo-3-[2,2,3,3-tetramethyl-1-propyl-6-(2,2,2-trifluoroacetyl)iminoindol-5-ylidene]cyclobuten-1-yl]-2,2,3,3-tetramethyl-1-propylindol-6-yl]acetamide
CID 176582811
N-[5-[(3Z)-3-[6-(2,2-dimethylpentanoylamino)-1,2,3,3-tetramethyl-2H-indol-1-ium-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide
CID 119081059
N-[5-[(3E)-3-[6-(2,2-dimethylpentanoylamino)-1,2,3,3-tetramethyl-2H-indol-1-ium-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide
CID 118099566
4-[4-bis(4-methylphenyl)azaniumylidene-2-(3-ethylheptanoylamino)cyclohexa-2,5-dien-1-ylidene]-2-[2-(3-ethylheptanoylamino)-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-oxocyclobuten-1-olate;3-ethyl-N-[5-[3-[6-(3-ethylheptanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]heptanamide;2-[3-[4-(2-ethylhexoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-ethylhexoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one
CID 158042629
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
[3-(2-ethylhexanoylamino)-4-[3-[2-(2-ethylhexanoylamino)-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(4-methylphenyl)azanium
CID 157290007
1-[3-(2-ethylhexylsulfanyl)propyl]-3-[5-[3-[6-[3-(2-ethylhexylsulfanyl)propylcarbamoylamino]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-1-ium-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]urea
CID 174089521
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide?
The IUPAC name of N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide (CID 161368725) is N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide.
What is the SMILES notation for N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide?
The canonical SMILES for N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide is CC(=O)/N=C1\C=C2C(=C\C1=C1\C(=O)C(c3cc4c(cc3NC(C)=O)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCC(C)(C)C(=O)/N=C1\C=C2C(=C\C1=C1\C(=O)C(c3cc4c(cc3NC(=O)C(C)(C)CC)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCCC(C)(C)C(=O)/N=C1\C=C2C(=CC1=C1C(=O)C(c3cc4c(cc3NC(=O)C(C)(C)CCC)N(C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C.CCCCC(CC)C(=O)/N=C1\C=C2C(=CC1=C1C(=O)C(c3cc4c(cc3NC(=O)C(CC)CCCC)N(C(C)C)C(C)C4(C)C)=C1O)C(C)(C)C(C)N2C(C)C.Cc1ccc(C)c(OCCCC(C)(C)C(=O)/N=C2\C=C3C(=CC2=C2C(=O)C(c4cc5c(cc4NC(=O)C(C)(C)CCCOc4cc(C)ccc4C)N(C)C(C)C5(C)C)=C2O)C(C)(C)C(C)N3C)c1.
What is the InChIKey of N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide?
The InChIKey is WUSCPRDVXRHZRW-OEVOEKTNSA-N. The full InChI is InChI=1S/C58H74N4O6.C48H70N4O4.C42H58N4O4.C40H54N4O4.C32H38N4O4/c1-33-19-21-35(3)47(27-33)67-25-17-23-55(7,8)53(65)59-43-31-45-41(57(11,12)37(5)61(45)15)29-39(43)49-51(63)50(52(49)64)40-30-42-46(62(16)38(6)58(42,13)14)32-44(40)60-54(66)56(9,10)24-18-26-68-48-28-34(2)20-22-36(48)4;1-15-19-21-31(17-3)45(55)49-37-25-39-35(47(11,12)29(9)51(39)27(5)6)23-33(37)41-43(53)42(44(41)54)34-24-36-40(52(28(7)8)30(10)48(36,13)14)26-38(34)50-46(56)32(18-4)22-20-16-2;1-15-17-39(5,6)37(49)43-29-21-31-27(41(9,10)23(3)45(31)13)19-25(29)33-35(47)34(36(33)48)26-20-28-32(46(14)24(4)42(28,11)12)22-30(26)44-38(50)40(7,8)18-16-2;1-15-37(5,6)35(47)41-27-19-29-25(39(9,10)21(3)43(29)13)17-23(27)31-33(45)32(34(31)46)24-18-26-30(44(14)22(4)40(26,11)12)20-28(24)42-36(48)38(7,8)16-2;1-15-31(5,6)21-11-19(23(33-17(3)37)13-25(21)35(15)9)27-29(39)28(30(27)40)20-12-22-26(14-24(20)34-18(4)38)36(10)16(2)32(22,7)8/h19-22,27-32,37-38,63H,17-18,23-26H2,1-16H3,(H,59,65);23-32,53H,15-22H2,1-14H3,(H,49,55);19-24,47H,15-18H2,1-14H3,(H,43,49);17-22,45H,15-16H2,1-14H3,(H,41,47);11-16,39H,1-10H3,(H,33,37)/b50-40?,60-44+;42-34?,50-38+;34-26?,44-30+;32-24-,42-28+;28-20-,34-24+.
What are the key properties of N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide?
N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide has a molecular weight of 3570.89 g/mol, XLogP of 44.76, 44 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3Z)-3-(6-acetylimino-1,2,3,3-tetramethyl-2H-indol-5-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]acetamide;N-[5-[(3Z)-3-[6-(2,2-dimethylbutanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylbutanamide;N-[5-[3-[6-(2,2-dimethylpentanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;5-(2,5-dimethylphenoxy)-N-[5-[3-[6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]imino-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-2,2-dimethylpentanamide;2-ethyl-N-[5-[3-[6-(2-ethylhexanoylimino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]hexanamide is sourced from PubChem (CID 161368725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).