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

C27H24N2O3 — CID 158110521

IUPAC(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccccc1C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H24N2O3/c1-18-8-2-3-9-20(18)25(30)16-27(32)22-11-5-7-13-24(22)29(26(27)31)15-14-19-17-28-23-12-6-4-10-21(19)23/h2-13,17,28,32H,14-16H2,1H3/t27-/m1/s1
InChIKeyXOVZHPKJSHZIRS-HHHXNRCGSA-N
MW424.50 g/mol
LogP4.53
Rot. Bonds6

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

(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one (PubChem CID 158110521) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
PubChem CID158110521
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccccc1C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H24N2O3/c1-18-8-2-3-9-20(18)25(30)16-27(32)22-11-5-7-13-24(22)29(26(27)31)15-14-19-17-28-23-12-6-4-10-21(19)23/h2-13,17,28,32H,14-16H2,1H3/t27-/m1/s1
InChIKeyXOVZHPKJSHZIRS-HHHXNRCGSA-N
XLogP4.53
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.53
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-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 142489436
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
CID 155378086
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
(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
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946
(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 40796601
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1331654
(3R)-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 40878432
3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3759443
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
CID 7280973

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one (CID 158110521) is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one is Cc1ccccc1C(=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-(2-methylphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is XOVZHPKJSHZIRS-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-18-8-2-3-9-20(18)25(30)16-27(32)22-11-5-7-13-24(22)29(26(27)31)15-14-19-17-28-23-12-6-4-10-21(19)23/h2-13,17,28,32H,14-16H2,1H3/t27-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one?
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 424.50 g/mol, XLogP of 4.53, 6 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-(2-methylphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 158110521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).