3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide

C60H103IN4O5 — CID 160522251

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCCCCCCCCCCCCCCCCCC(=O)O.I.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C30H50N2O2.C20H40O2.C10H12N2O.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h20-21,24-25,32-33H,2-19,22-23H2,1H3,(H,31,34);2-19H2,1H3,(H,21,22);1-2,5-6,12-13H,3-4,11H2;1H
InChIKeyBMYOSNMUBOPJNG-UHFFFAOYSA-N
MW1087.41 g/mol
LogP17.68
Rot. Bonds41

About 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide

3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide (PubChem CID 160522251) has the molecular formula C60H103IN4O5 and a molecular weight of 1087.41 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
PubChem CID160522251
Molecular FormulaC60H103IN4O5
Molecular Weight1087.41 g/mol
Exact Mass1086.70
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCCCCCCCCCCCCCCCCCC(=O)O.I.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C30H50N2O2.C20H40O2.C10H12N2O.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h20-21,24-25,32-33H,2-19,22-23H2,1H3,(H,31,34);2-19H2,1H3,(H,21,22);1-2,5-6,12-13H,3-4,11H2;1H
InChIKeyBMYOSNMUBOPJNG-UHFFFAOYSA-N
XLogP17.68
TPSA164.46 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds41
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.41
LogP ≤ 517.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z,9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-6,9,12-trienamide
CID 24749163
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
CID 24749267
(5E,8E,11E,14E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
CID 14420957
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide
CID 166686347
4-[[3-[2-[[(E)-icos-13-enoyl]amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 143884111
(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
CID 15234236
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide (CID 160522251) is 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide is CCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.CCCCCCCCCCCCCCCCCCCC(=O)O.I.NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide?
The InChIKey is BMYOSNMUBOPJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2O2.C20H40O2.C10H12N2O.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h20-21,24-25,32-33H,2-19,22-23H2,1H3,(H,31,34);2-19H2,1H3,(H,21,22);1-2,5-6,12-13H,3-4,11H2;1H.
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide?
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide has a molecular weight of 1087.41 g/mol, XLogP of 17.68, 41 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide is sourced from PubChem (CID 160522251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).