(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one

C25H23NO3 — CID 7281362

IUPAC(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
SMILESCc1ccc(CN2C(=O)[C@@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3/c1-17-12-14-19(15-13-17)16-26-22-11-7-6-10-21(22)25(29,24(26)28)18(2)23(27)20-8-4-3-5-9-20/h3-15,18,29H,16H2,1-2H3/t18-,25-/m1/s1
InChIKeyOODZZHOFDHQZKG-IQGLISFBSA-N
MW385.46 g/mol
LogP4.25
Rot. Bonds5

About (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one

(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one (PubChem CID 7281362) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
PubChem CID7281362
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
SMILESCc1ccc(CN2C(=O)[C@@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3/c1-17-12-14-19(15-13-17)16-26-22-11-7-6-10-21(22)25(29,24(26)28)18(2)23(27)20-8-4-3-5-9-20/h3-15,18,29H,16H2,1-2H3/t18-,25-/m1/s1
InChIKeyOODZZHOFDHQZKG-IQGLISFBSA-N
XLogP4.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxyindol-2-one
CID 2976468
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281273
(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one
CID 7334078
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)butanoate
CID 57374959
N-[(1R)-1-[(3R)-1-benzyl-3-bromo-2-oxoindol-3-yl]-2-oxo-2-phenylethyl]-4-methylbenzenesulfonamide
CID 134949211
(3R)-1-benzyl-3-hydroxy-3-[(2S)-octan-2-yl]indol-2-one
CID 134947968
(3R)-1-[(4-bromophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425799
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 7270821
1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839177
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7270819

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one (CID 7281362) is (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one is Cc1ccc(CN2C(=O)[C@@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
The InChIKey is OODZZHOFDHQZKG-IQGLISFBSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17-12-14-19(15-13-17)16-26-22-11-7-6-10-21(22)25(29,24(26)28)18(2)23(27)20-8-4-3-5-9-20/h3-15,18,29H,16H2,1-2H3/t18-,25-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one has a molecular weight of 385.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one is sourced from PubChem (CID 7281362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).