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

C27H24N2O4 — CID 142489436

IUPAC(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
SMILESCOc1ccccc1C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H24N2O4/c1-33-25-13-7-3-9-20(25)24(30)16-27(32)21-10-4-6-12-23(21)29(26(27)31)15-14-18-17-28-22-11-5-2-8-19(18)22/h2-13,17,28,32H,14-16H2,1H3/t27-/m1/s1
InChIKeyLVDJEQBXZOISCF-HHHXNRCGSA-N
MW440.50 g/mol
LogP4.23
Rot. Bonds7

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

(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one (PubChem CID 142489436) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
PubChem CID142489436
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
SMILESCOc1ccccc1C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H24N2O4/c1-33-25-13-7-3-9-20(25)24(30)16-27(32)21-10-4-6-12-23(21)29(26(27)31)15-14-18-17-28-22-11-5-2-8-19(18)22/h2-13,17,28,32H,14-16H2,1H3/t27-/m1/s1
InChIKeyLVDJEQBXZOISCF-HHHXNRCGSA-N
XLogP4.23
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one with MolForge

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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-oxopropyl)indol-2-one
CID 155378086
3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
CID 156568746
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
CID 796057
4-[3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]butanenitrile
CID 2989913
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 7647831
(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
CID 156568807
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one (CID 142489436) is (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one is COc1ccccc1C(=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-methoxyphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is LVDJEQBXZOISCF-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-33-25-13-7-3-9-20(25)24(30)16-27(32)21-10-4-6-12-23(21)29(26(27)31)15-14-18-17-28-22-11-5-2-8-19(18)22/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-methoxyphenyl)-2-oxoethyl]indol-2-one?
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 440.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-methoxyphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 142489436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).