3-[2-(dodecylamino)ethyl]-1H-indol-4-ol

C22H36N2O — CID 167346455

IUPAC3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
SMILESCCCCCCCCCCCCNCCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C22H36N2O/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-15-19-18-24-20-13-12-14-21(25)22(19)20/h12-14,18,23-25H,2-11,15-17H2,1H3
InChIKeyQIAARMCJOMLVIR-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.93
Rot. Bonds14

About 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol

3-[2-(dodecylamino)ethyl]-1H-indol-4-ol (PubChem CID 167346455) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
PubChem CID167346455
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
SMILESCCCCCCCCCCCCNCCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C22H36N2O/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-15-19-18-24-20-13-12-14-21(25)22(19)20/h12-14,18,23-25H,2-11,15-17H2,1H3
InChIKeyQIAARMCJOMLVIR-UHFFFAOYSA-N
XLogP5.93
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol (CID 167346455) is 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol is CCCCCCCCCCCCNCCc1c[nH]c2cccc(O)c12.
What is the InChIKey of 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol?
The InChIKey is QIAARMCJOMLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-15-19-18-24-20-13-12-14-21(25)22(19)20/h12-14,18,23-25H,2-11,15-17H2,1H3.
What are the key properties of 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol?
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol has a molecular weight of 344.54 g/mol, XLogP of 5.93, 14 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dodecylamino)ethyl]-1H-indol-4-ol is sourced from PubChem (CID 167346455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).