(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one

C21H20N2O3 — CID 155378086

IUPAC(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-14(24)12-21(26)17-7-3-5-9-19(17)23(20(21)25)11-10-15-13-22-18-8-4-2-6-16(15)18/h2-9,13,22,26H,10-12H2,1H3/t21-/m1/s1
InChIKeyQXAXBGYDXGLNAO-OAQYLSRUSA-N
MW348.40 g/mol
LogP2.92
Rot. Bonds5

About (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one

(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 155378086) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
PubChem CID155378086
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-14(24)12-21(26)17-7-3-5-9-19(17)23(20(21)25)11-10-15-13-22-18-8-4-2-6-16(15)18/h2-9,13,22,26H,10-12H2,1H3/t21-/m1/s1
InChIKeyQXAXBGYDXGLNAO-OAQYLSRUSA-N
XLogP2.92
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
CID 158110521
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 142489436
3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
CID 156568746
(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
CID 156568807
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
CID 7280973
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
CID 7280995
(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162524
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 6499592
(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444535
3-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-3H-isoquinolin-1-one
CID 101020470

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one (CID 155378086) is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one is CC(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one?
The InChIKey is QXAXBGYDXGLNAO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(24)12-21(26)17-7-3-5-9-19(17)23(20(21)25)11-10-15-13-22-18-8-4-2-6-16(15)18/h2-9,13,22,26H,10-12H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one?
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 155378086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).