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)

C174H221N15O13 — CID 157147138

IUPACnonakis(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)
SMILESCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCc1c[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]c2ccc(OCC)cc12.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.CCCc1c[nH]c2ccccc12.CCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2.9C13H17NO.2C11H13NO.2C11H13N/c1-2-13(17)14-6-5-9-8-15-12-4-3-10(16)7-11(9)12;9*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*1-2-3-8-7-12-11-5-4-9(13)6-10(8)11;2*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);9*6-9,14H,3-5H2,1-2H3;2*4-7,12-13H,2-3H2,1H3;2*3-4,6-8,12H,2,5H2,1H3
InChIKeyAKVJZUAAGJSULE-UHFFFAOYSA-N
MW2730.77 g/mol
LogP45.51
Rot. Bonds48

About 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)

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) (PubChem CID 157147138) has the molecular formula C174H221N15O13 and a molecular weight of 2730.77 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namenonakis(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)
PubChem CID157147138
Molecular FormulaC174H221N15O13
Molecular Weight2730.77 g/mol
Exact Mass2728.71
IUPAC Namenonakis(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)
SMILESCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCc1c[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]c2ccc(OCC)cc12.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.CCCc1c[nH]c2ccccc12.CCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2.9C13H17NO.2C11H13NO.2C11H13N/c1-2-13(17)14-6-5-9-8-15-12-4-3-10(16)7-11(9)12;9*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*1-2-3-8-7-12-11-5-4-9(13)6-10(8)11;2*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);9*6-9,14H,3-5H2,1-2H3;2*4-7,12-13H,2-3H2,1H3;2*3-4,6-8,12H,2,5H2,1H3
InChIKeyAKVJZUAAGJSULE-UHFFFAOYSA-N
XLogP45.51
TPSA393.92 Ų
H-Bond Donors18
H-Bond Acceptors13
Rotatable Bonds48
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002730.77
LogP ≤ 545.51
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1013

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Related Compounds

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CID 563605
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-[4-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetyl}-piperazin-1-yl)-phenyl]-acetamide
CID 10008868
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-ethyl}-acetamide
CID 11797158
2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
CID 11797998
N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 56653119
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 10531639
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(3-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetylamino}-propyl)-acetamide
CID 10696930
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetylamino}-phenyl)-acetamide
CID 11800592
N1,N10-bis(2-(5-methoxy-1H-indol-3-yl)ethyl)decanediamide
CID 44424026
N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide
CID 56653120
N-[2-[5-(3-phenoxypropoxy)-1H-indol-3-yl]ethyl]acetamide
CID 56653479

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCc1c[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]c2ccc(OCC)cc12.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.CCCc1c[nH]c2ccccc12.CCCc1c[nH]c2ccccc12.
What is the InChIKey of 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)?
The InChIKey is AKVJZUAAGJSULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.9C13H17NO.2C11H13NO.2C11H13N/c1-2-13(17)14-6-5-9-8-15-12-4-3-10(16)7-11(9)12;9*1-3-5-10-9-14-13-7-6-11(15-4-2)8-12(10)13;2*1-2-3-8-7-12-11-5-4-9(13)6-10(8)11;2*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);9*6-9,14H,3-5H2,1-2H3;2*4-7,12-13H,2-3H2,1H3;2*3-4,6-8,12H,2,5H2,1H3.
What are the key properties of 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)?
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) has a molecular weight of 2730.77 g/mol, XLogP of 45.51, 48 rotatable bonds, 18 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157147138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).