1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol

C24H29N3O3 — CID 3240150

IUPAC1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol
SMILESOCCN(CC(O)Cn1ccc2ccccc21)CC(O)Cn1ccc2ccccc21
InChIInChI=1S/C24H29N3O3/c28-14-13-25(15-21(29)17-26-11-9-19-5-1-3-7-23(19)26)16-22(30)18-27-12-10-20-6-2-4-8-24(20)27/h1-12,21-22,28-30H,13-18H2
InChIKeyFWGHSGUHZNFIPN-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.31
Rot. Bonds10

About 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol

1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol (PubChem CID 3240150) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol
PubChem CID3240150
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol
SMILESOCCN(CC(O)Cn1ccc2ccccc21)CC(O)Cn1ccc2ccccc21
InChIInChI=1S/C24H29N3O3/c28-14-13-25(15-21(29)17-26-11-9-19-5-1-3-7-23(19)26)16-22(30)18-27-12-10-20-6-2-4-8-24(20)27/h1-12,21-22,28-30H,13-18H2
InChIKeyFWGHSGUHZNFIPN-UHFFFAOYSA-N
XLogP2.31
TPSA73.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol (CID 3240150) is 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol is OCCN(CC(O)Cn1ccc2ccccc21)CC(O)Cn1ccc2ccccc21.
What is the InChIKey of 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol?
The InChIKey is FWGHSGUHZNFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-14-13-25(15-21(29)17-26-11-9-19-5-1-3-7-23(19)26)16-22(30)18-27-12-10-20-6-2-4-8-24(20)27/h1-12,21-22,28-30H,13-18H2.
What are the key properties of 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol?
1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol has a molecular weight of 407.51 g/mol, XLogP of 2.31, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)amino]-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 3240150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).