1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one

C20H30N2O2 — CID 166643504

IUPAC1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)n1cc(CCN)c2cc(O)ccc21
InChIInChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-20(24)22-15-16(12-13-21)18-14-17(23)10-11-19(18)22/h10-11,14-15,23H,2-9,12-13,21H2,1H3
InChIKeyVSPSDNUKRBAJEA-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.63
Rot. Bonds10

About 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one

1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one (PubChem CID 166643504) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one
PubChem CID166643504
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)n1cc(CCN)c2cc(O)ccc21
InChIInChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-20(24)22-15-16(12-13-21)18-14-17(23)10-11-19(18)22/h10-11,14-15,23H,2-9,12-13,21H2,1H3
InChIKeyVSPSDNUKRBAJEA-UHFFFAOYSA-N
XLogP4.63
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one 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

1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide
CID 22669256
(5Z,8Z,11Z,14Z)-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]icosa-5,8,11,14-tetraen-1-one
CID 166138368
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
CID 160522251
3-(2-aminoethyl)-1-benzylindol-5-ol
CID 175444394
1-(2,4-dihydroxyphenyl)undecan-2-one
CID 21116378
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
1-(2,5-dihydroxypyrrol-1-yl)nonan-1-one
CID 54432084
1-(2,5-dihydroxypyrrol-1-yl)tetradecan-1-one
CID 123388577
4-aminophenol;dodecanoic acid
CID 157063847
ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
CID 141184815

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one?
The IUPAC name of 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one (CID 166643504) is 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one.
What is the SMILES notation for 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one?
The canonical SMILES for 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one is CCCCCCCCCC(=O)n1cc(CCN)c2cc(O)ccc21.
What is the InChIKey of 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one?
The InChIKey is VSPSDNUKRBAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-20(24)22-15-16(12-13-21)18-14-17(23)10-11-19(18)22/h10-11,14-15,23H,2-9,12-13,21H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one?
1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one has a molecular weight of 330.47 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]decan-1-one is sourced from PubChem (CID 166643504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).