N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride

C169H225Cl4N21O15 — CID 157218939

IUPACN,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride
SMILESCCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCOc1ccc2[nH]cc(CCNC(=O)CC(=O)NCCc3c[nH]c4ccc(OCC)cc34)c2c1.CCOc1ccc2[nH]cc(CCNCCCNCCc3c[nH]c4ccc(OCC)cc34)c2c1.CCOc1cccc2c(CCN)c[nH]c12.CCOc1cccc2c(CCN)c[nH]c12.Cl.Cl.Cl.Cl
InChIInChI=1S/C27H32N4O4.C27H36N4O2.2C13H18N2O.5C13H17NO.2C12H16N2O.4ClH/c1-3-34-20-5-7-24-22(13-20)18(16-30-24)9-11-28-26(32)15-27(33)29-12-10-19-17-31-25-8-6-21(35-4-2)14-23(19)25;1-3-32-22-6-8-26-24(16-22)20(18-30-26)10-14-28-12-5-13-29-15-11-21-19-31-27-9-7-23(33-4-2)17-25(21)27;2*1-2-8-16-12-5-3-4-11-13(12)10(6-7-14)9-15-11;5*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*1-2-15-11-5-3-4-10-9(6-7-13)8-14-12(10)11;;;;/h5-8,13-14,16-17,30-31H,3-4,9-12,15H2,1-2H3,(H,28,32)(H,29,33);6-9,16-19,28-31H,3-5,10-15H2,1-2H3;2*3-5,9,15H,2,6-8,14H2,1H3;5*6-9,14H,3-5H2,1-2H3;2*3-5,8,14H,2,6-7,13H2,1H3;4*1H
InChIKeyAFBXMXOANUMOFB-UHFFFAOYSA-N
MW2932.60 g/mol
LogP36.99
Rot. Bonds64

About N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride

N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride (PubChem CID 157218939) has the molecular formula C169H225Cl4N21O15 and a molecular weight of 2932.60 g/mol. Its IUPAC name is N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride.

Molecular Properties

Compound NameN,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride
PubChem CID157218939
Molecular FormulaC169H225Cl4N21O15
Molecular Weight2932.60 g/mol
Exact Mass2928.62
IUPAC NameN,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride
SMILESCCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCOc1ccc2[nH]cc(CCNC(=O)CC(=O)NCCc3c[nH]c4ccc(OCC)cc34)c2c1.CCOc1ccc2[nH]cc(CCNCCCNCCc3c[nH]c4ccc(OCC)cc34)c2c1.CCOc1cccc2c(CCN)c[nH]c12.CCOc1cccc2c(CCN)c[nH]c12.Cl.Cl.Cl.Cl
InChIInChI=1S/C27H32N4O4.C27H36N4O2.2C13H18N2O.5C13H17NO.2C12H16N2O.4ClH/c1-3-34-20-5-7-24-22(13-20)18(16-30-24)9-11-28-26(32)15-27(33)29-12-10-19-17-31-25-8-6-21(35-4-2)14-23(19)25;1-3-32-22-6-8-26-24(16-22)20(18-30-26)10-14-28-12-5-13-29-15-11-21-19-31-27-9-7-23(33-4-2)17-25(21)27;2*1-2-8-16-12-5-3-4-11-13(12)10(6-7-14)9-15-11;5*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*1-2-15-11-5-3-4-10-9(6-7-13)8-14-12(10)11;;;;/h5-8,13-14,16-17,30-31H,3-4,9-12,15H2,1-2H3,(H,28,32)(H,29,33);6-9,16-19,28-31H,3-5,10-15H2,1-2H3;2*3-5,9,15H,2,6-8,14H2,1H3;5*6-9,14H,3-5H2,1-2H3;2*3-5,8,14H,2,6-7,13H2,1H3;4*1H
InChIKeyAFBXMXOANUMOFB-UHFFFAOYSA-N
XLogP36.99
TPSA511.60 Ų
H-Bond Donors21
H-Bond Acceptors21
Rotatable Bonds64
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.60
LogP ≤ 536.99
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride with MolForge

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Related Compounds

2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole
CID 23185588
1-[2-(7-methoxy-1H-indol-3-yl)ethyl]-2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1,2-bis[(3-phenoxyphenyl)methyl]hydrazine
CID 69838745
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide
CID 70303218
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole
CID 144941270
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
CID 157133799
2-[4-amino-7-(2-hydroxyethoxy)indol-1-yl]ethanol;2-[(4-amino-1H-indol-7-yl)oxy]ethanol;3-ethyl-2-methyl-7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;3-ethyl-2-methyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine
CID 157140266
nonakis(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;bis(3-propyl-1H-indole);bis(3-propyl-1H-indol-5-ol)
CID 157147138
tert-butyl N-[2-(1H-indol-7-yloxy)ethyl]-N-methylcarbamate;tert-butyl 4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate
CID 157268460
2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 157296124
2-(4-amino-7-methyl-1H-indol-3-yl)ethanol;3-(4-amino-7-methyl-1H-indol-3-yl)propan-1-ol;2,3-dimethyl-7-(2-pyrrol-1-ylethoxy)-1H-indol-4-amine;7-ethyl-1H-indol-4-amine;7-(2-methoxyethoxy)-2,3-dimethyl-1H-indol-4-amine;7-(2-methoxyethoxy)-1H-indol-4-amine;7-methyl-1H-indol-4-amine
CID 157310709
N,N'-bis[2-(5-octoxy-1H-indol-3-yl)ethyl]dodecanediamide;2-(5-decoxy-1H-indol-3-yl)-N,N-dimethylethanamine;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;N,N-dimethyl-2-(5-nonoxy-1H-indol-3-yl)ethanamine;N,N-dimethyl-2-(5-octoxy-1H-indol-3-yl)ethanamine;bis(N,N-dimethyl-2-(5-tetradecoxy-1H-indol-3-yl)ethanamine);N,N-dimethyl-2-(5-undecoxy-1H-indol-3-yl)ethanamine;2-(5-dodecoxy-1H-indol-3-yl)-N,N-dimethylethanamine;bis(2-(5-hexadecoxy-1H-indol-3-yl)-N,N-dimethylethanamine);2-(1H-indol-3-yl)-N,N-dimethylethanamine
CID 157317486
2-(4-amino-7-methyl-1H-indol-3-yl)ethanol;3-(4-amino-7-methyl-1H-indol-3-yl)propan-1-ol;7-ethyl-1H-indol-4-amine;7-(2-methoxyethoxy)-2,3-dimethyl-1H-indol-4-amine;7-methyl-1H-indol-4-amine
CID 157336830

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride?
The IUPAC name of N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride (CID 157218939) is N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride.
What is the SMILES notation for N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride?
The canonical SMILES for N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride is CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCOc1ccc2[nH]cc(CCNC(=O)CC(=O)NCCc3c[nH]c4ccc(OCC)cc34)c2c1.CCOc1ccc2[nH]cc(CCNCCCNCCc3c[nH]c4ccc(OCC)cc34)c2c1.CCOc1cccc2c(CCN)c[nH]c12.CCOc1cccc2c(CCN)c[nH]c12.Cl.Cl.Cl.Cl.
What is the InChIKey of N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride?
The InChIKey is AFBXMXOANUMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C27H36N4O2.2C13H18N2O.5C13H17NO.2C12H16N2O.4ClH/c1-3-34-20-5-7-24-22(13-20)18(16-30-24)9-11-28-26(32)15-27(33)29-12-10-19-17-31-25-8-6-21(35-4-2)14-23(19)25;1-3-32-22-6-8-26-24(16-22)20(18-30-26)10-14-28-12-5-13-29-15-11-21-19-31-27-9-7-23(33-4-2)17-25(21)27;2*1-2-8-16-12-5-3-4-11-13(12)10(6-7-14)9-15-11;5*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*1-2-15-11-5-3-4-10-9(6-7-13)8-14-12(10)11;;;;/h5-8,13-14,16-17,30-31H,3-4,9-12,15H2,1-2H3,(H,28,32)(H,29,33);6-9,16-19,28-31H,3-5,10-15H2,1-2H3;2*3-5,9,15H,2,6-8,14H2,1H3;5*6-9,14H,3-5H2,1-2H3;2*3-5,8,14H,2,6-7,13H2,1H3;4*1H.
What are the key properties of N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride?
N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride has a molecular weight of 2932.60 g/mol, XLogP of 36.99, 64 rotatable bonds, 21 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propanediamide;N,N'-bis[2-(5-ethoxy-1H-indol-3-yl)ethyl]propane-1,3-diamine;bis(2-(7-ethoxy-1H-indol-3-yl)ethanamine);pentakis(5-ethoxy-3-propyl-1H-indole);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);tetrahydrochloride is sourced from PubChem (CID 157218939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).