3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one

C173H238N14O13 — CID 157149640

IUPAC3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
SMILESCC(C)(C)c1ccc(OCCN2CCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)N(CCN3CCCC3)c3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCCC3)C(=O)Nc3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)c1.CN(C)CCN1C(=O)C(c2cc(C(C)(C)C)ccc2CCCN2CCCC2)(c2cc(C(C)(C)C)ccc2OCCN2CCCC2)c2ccccc21
InChIInChI=1S/C46H64N4O3.C45H64N4O2.C42H57N3O3.C40H53N3O5/c1-44(2,3)35-17-19-41(52-31-29-48-23-11-12-24-48)38(33-35)46(37-15-7-8-16-40(37)50(43(46)51)28-27-47-21-9-10-22-47)39-34-36(45(4,5)6)18-20-42(39)53-32-30-49-25-13-14-26-49;1-43(2,3)35-20-19-34(16-15-27-47-23-11-12-24-47)38(32-35)45(37-17-9-10-18-40(37)49(42(45)50)29-28-46(7)8)39-33-36(44(4,5)6)21-22-41(39)51-31-30-48-25-13-14-26-48;1-40(2,3)31-17-19-37(47-27-25-44-21-11-7-12-22-44)34(29-31)42(33-15-9-10-16-36(33)43-39(42)46)35-30-32(41(4,5)6)18-20-38(35)48-28-26-45-23-13-8-14-24-45;1-38(2,3)29-11-13-35(47-25-19-42-15-21-45-22-16-42)32(27-29)40(31-9-7-8-10-34(31)41-37(40)44)33-28-30(39(4,5)6)12-14-36(33)48-26-20-43-17-23-46-24-18-43/h7-8,15-20,33-34H,9-14,21-32H2,1-6H3;9-10,17-22,32-33H,11-16,23-31H2,1-8H3;9-10,15-20,29-30H,7-8,11-14,21-28H2,1-6H3,(H,43,46);7-14,27-28H,15-26H2,1-6H3,(H,41,44)
InChIKeyALCLAQNBHBQAAW-UHFFFAOYSA-N
MW2721.89 g/mol
LogP30.32
Rot. Bonds46

About 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one

3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one (PubChem CID 157149640) has the molecular formula C173H238N14O13 and a molecular weight of 2721.89 g/mol. Its IUPAC name is 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one.

Molecular Properties

Compound Name3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
PubChem CID157149640
Molecular FormulaC173H238N14O13
Molecular Weight2721.89 g/mol
Exact Mass2719.84
IUPAC Name3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
SMILESCC(C)(C)c1ccc(OCCN2CCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)N(CCN3CCCC3)c3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCCC3)C(=O)Nc3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)c1.CN(C)CCN1C(=O)C(c2cc(C(C)(C)C)ccc2CCCN2CCCC2)(c2cc(C(C)(C)C)ccc2OCCN2CCCC2)c2ccccc21
InChIInChI=1S/C46H64N4O3.C45H64N4O2.C42H57N3O3.C40H53N3O5/c1-44(2,3)35-17-19-41(52-31-29-48-23-11-12-24-48)38(33-35)46(37-15-7-8-16-40(37)50(43(46)51)28-27-47-21-9-10-22-47)39-34-36(45(4,5)6)18-20-42(39)53-32-30-49-25-13-14-26-49;1-43(2,3)35-20-19-34(16-15-27-47-23-11-12-24-47)38(32-35)45(37-17-9-10-18-40(37)49(42(45)50)29-28-46(7)8)39-33-36(44(4,5)6)21-22-41(39)51-31-30-48-25-13-14-26-48;1-40(2,3)31-17-19-37(47-27-25-44-21-11-7-12-22-44)34(29-31)42(33-15-9-10-16-36(33)43-39(42)46)35-30-32(41(4,5)6)18-20-38(35)48-28-26-45-23-13-8-14-24-45;1-38(2,3)29-11-13-35(47-25-19-42-15-21-45-22-16-42)32(27-29)40(31-9-7-8-10-34(31)41-37(40)44)33-28-30(39(4,5)6)12-14-36(33)48-26-20-43-17-23-46-24-18-43/h7-8,15-20,33-34H,9-14,21-32H2,1-6H3;9-10,17-22,32-33H,11-16,23-31H2,1-8H3;9-10,15-20,29-30H,7-8,11-14,21-28H2,1-6H3,(H,43,46);7-14,27-28H,15-26H2,1-6H3,(H,41,44)
InChIKeyALCLAQNBHBQAAW-UHFFFAOYSA-N
XLogP30.32
TPSA214.29 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds46
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002721.89
LogP ≤ 530.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one with MolForge

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Related Compounds

3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one
CID 90089268
3,3-Bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 90089279
3,3-Bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
CID 90089335
3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289618
3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289619
3,3-bis[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-1H-indol-2-one
CID 121289624
3,3-bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indol-2-one
CID 121289625
3,3-Bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 171349950
3,3-Bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-2-one
CID 171350686
3-[5-Tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
CID 121289617
3,3-Bis[5-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-(2-piperazin-1-ylethyl)indol-2-one
CID 121289626
8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one
CID 121291615

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one?
The IUPAC name of 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one (CID 157149640) is 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one.
What is the SMILES notation for 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one?
The canonical SMILES for 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one is CC(C)(C)c1ccc(OCCN2CCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)N(CCN3CCCC3)c3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCCC3)C(=O)Nc3ccccc32)c1.CC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)c1.CN(C)CCN1C(=O)C(c2cc(C(C)(C)C)ccc2CCCN2CCCC2)(c2cc(C(C)(C)C)ccc2OCCN2CCCC2)c2ccccc21.
What is the InChIKey of 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one?
The InChIKey is ALCLAQNBHBQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H64N4O3.C45H64N4O2.C42H57N3O3.C40H53N3O5/c1-44(2,3)35-17-19-41(52-31-29-48-23-11-12-24-48)38(33-35)46(37-15-7-8-16-40(37)50(43(46)51)28-27-47-21-9-10-22-47)39-34-36(45(4,5)6)18-20-42(39)53-32-30-49-25-13-14-26-49;1-43(2,3)35-20-19-34(16-15-27-47-23-11-12-24-47)38(32-35)45(37-17-9-10-18-40(37)49(42(45)50)29-28-46(7)8)39-33-36(44(4,5)6)21-22-41(39)51-31-30-48-25-13-14-26-48;1-40(2,3)31-17-19-37(47-27-25-44-21-11-7-12-22-44)34(29-31)42(33-15-9-10-16-36(33)43-39(42)46)35-30-32(41(4,5)6)18-20-38(35)48-28-26-45-23-13-8-14-24-45;1-38(2,3)29-11-13-35(47-25-19-42-15-21-45-22-16-42)32(27-29)40(31-9-7-8-10-34(31)41-37(40)44)33-28-30(39(4,5)6)12-14-36(33)48-26-20-43-17-23-46-24-18-43/h7-8,15-20,33-34H,9-14,21-32H2,1-6H3;9-10,17-22,32-33H,11-16,23-31H2,1-8H3;9-10,15-20,29-30H,7-8,11-14,21-28H2,1-6H3,(H,43,46);7-14,27-28H,15-26H2,1-6H3,(H,41,44).
What are the key properties of 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one?
3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one has a molecular weight of 2721.89 g/mol, XLogP of 30.32, 46 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-piperidin-1-ylethoxy)phenyl]-1H-indol-2-one;3,3-bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one;3-[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[5-tert-butyl-2-(3-pyrrolidin-1-ylpropyl)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one is sourced from PubChem (CID 157149640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).