tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol

C74H93N7O6 — CID 161141076

IUPACtris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
SMILESCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2.3C13H17NO.C11H13NO.C11H13N/c1-2-13(17)14-6-5-9-8-15-12-4-3-10(16)7-11(9)12;3*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;1-2-3-8-7-12-11-5-4-9(13)6-10(8)11;1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,7-8,15-16H,2,5-6H2,1H3,(H,14,17);3*6-9,14H,3-5H2,1-2H3;4-7,12-13H,2-3H2,1H3;3-4,6-8,12H,2,5H2,1H3
InChIKeyUNLJANDEMWRTNV-UHFFFAOYSA-N
MW1176.60 g/mol
LogP18.45
Rot. Bonds20

About tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol

tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol (PubChem CID 161141076) has the molecular formula C74H93N7O6 and a molecular weight of 1176.60 g/mol. Its IUPAC name is tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol.

Molecular Properties

Compound Nametris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
PubChem CID161141076
Molecular FormulaC74H93N7O6
Molecular Weight1176.60 g/mol
Exact Mass1175.72
IUPAC Nametris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
SMILESCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2.3C13H17NO.C11H13NO.C11H13N/c1-2-13(17)14-6-5-9-8-15-12-4-3-10(16)7-11(9)12;3*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;1-2-3-8-7-12-11-5-4-9(13)6-10(8)11;1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,7-8,15-16H,2,5-6H2,1H3,(H,14,17);3*6-9,14H,3-5H2,1-2H3;4-7,12-13H,2-3H2,1H3;3-4,6-8,12H,2,5H2,1H3
InChIKeyUNLJANDEMWRTNV-UHFFFAOYSA-N
XLogP18.45
TPSA191.99 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.60
LogP ≤ 518.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173902
3-propyl-1H-indol-5-ol
CID 15366338
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
4-ethoxy-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 35769791
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
1-[2-(1H-indol-3-yl)ethyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879613

Frequently Asked Questions

What is the IUPAC name of tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol?
The IUPAC name of tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol (CID 161141076) is tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol.
What is the SMILES notation for tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol?
The canonical SMILES for tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol is CCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccc(OCC)cc12.CCCc1c[nH]c2ccccc12.
What is the InChIKey of tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol?
The InChIKey is UNLJANDEMWRTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.3C13H17NO.C11H13NO.C11H13N/c1-2-13(17)14-6-5-9-8-15-12-4-3-10(16)7-11(9)12;3*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;1-2-3-8-7-12-11-5-4-9(13)6-10(8)11;1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,7-8,15-16H,2,5-6H2,1H3,(H,14,17);3*6-9,14H,3-5H2,1-2H3;4-7,12-13H,2-3H2,1H3;3-4,6-8,12H,2,5H2,1H3.
What are the key properties of tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol?
tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol has a molecular weight of 1176.60 g/mol, XLogP of 18.45, 20 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol is sourced from PubChem (CID 161141076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).