(3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one

C24H20N2O3 — CID 71500383

IUPAC(3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one
SMILESCN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H20N2O3/c1-25-19-13-7-5-11-17(19)21(22(25)27)24(29)18-12-6-8-14-20(18)26(23(24)28)15-16-9-3-2-4-10-16/h2-14,21,29H,15H2,1H3/t21-,24+/m1/s1
InChIKeyBGIKYDQVZJXXMV-QPPBQGQZSA-N
MW384.44 g/mol
LogP3.18
Rot. Bonds3

About (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one

(3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one (PubChem CID 71500383) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one
PubChem CID71500383
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one
SMILESCN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H20N2O3/c1-25-19-13-7-5-11-17(19)21(22(25)27)24(29)18-12-6-8-14-20(18)26(23(24)28)15-16-9-3-2-4-10-16/h2-14,21,29H,15H2,1H3/t21-,24+/m1/s1
InChIKeyBGIKYDQVZJXXMV-QPPBQGQZSA-N
XLogP3.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one with MolForge

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Related Compounds

3-(6,6-Dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propylindol-2-one
CID 2880249
Mls003115172
CID 314749
3-Hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 2918701
3-Hydroxy-1-methyl-3-(2-oxo-cycloheptyl)-1,3-dihydro-indol-2-one
CID 3127024
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
3-Hydroxy-1-methyl-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 325380
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
1-benzyl-3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 655041
methyl [3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]acetate
CID 2924675
3-[2-(4-Aminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2925029
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2953523

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one?
The IUPAC name of (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one (CID 71500383) is (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one?
The canonical SMILES for (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one is CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21.
What is the InChIKey of (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one?
The InChIKey is BGIKYDQVZJXXMV-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-25-19-13-7-5-11-17(19)21(22(25)27)24(29)18-12-6-8-14-20(18)26(23(24)28)15-16-9-3-2-4-10-16/h2-14,21,29H,15H2,1H3/t21-,24+/m1/s1.
What are the key properties of (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one?
(3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-hydroxy-3-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]indol-2-one is sourced from PubChem (CID 71500383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).