2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone

C25H31N3O4 — CID 129458218

IUPAC2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21
InChIInChI=1S/C25H31N3O4/c1-26(17-22(29)18-28-11-10-21-4-2-3-5-24(21)28)16-20-6-8-23(9-7-20)32-19-25(30)27-12-14-31-15-13-27/h2-11,22,29H,12-19H2,1H3/t22-/m1/s1
InChIKeySJRLFUOQQHALIH-JOCHJYFZSA-N
MW437.54 g/mol
LogP2.37
Rot. Bonds9

About 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 129458218) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID129458218
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21
InChIInChI=1S/C25H31N3O4/c1-26(17-22(29)18-28-11-10-21-4-2-3-5-24(21)28)16-20-6-8-23(9-7-20)32-19-25(30)27-12-14-31-15-13-27/h2-11,22,29H,12-19H2,1H3/t22-/m1/s1
InChIKeySJRLFUOQQHALIH-JOCHJYFZSA-N
XLogP2.37
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone 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

(2R)-1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 129457750
1-[3-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129458533
2-[4-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 77091308
2-[4-[[(3-cyclohexyloxy-2-hydroxypropyl)-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155984686
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 132778798
2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129457900
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
2-[4-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 46984283
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]-1-morpholin-4-ylethanone
CID 67826771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 129458218) is 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone is CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21.
What is the InChIKey of 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is SJRLFUOQQHALIH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-26(17-22(29)18-28-11-10-21-4-2-3-5-24(21)28)16-20-6-8-23(9-7-20)32-19-25(30)27-12-14-31-15-13-27/h2-11,22,29H,12-19H2,1H3/t22-/m1/s1.
What are the key properties of 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 437.54 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 129458218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).