(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one

C25H23NO3 — CID 7280973

IUPAC(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
SMILESO=C(Cc1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO3/c27-21(17-20-11-5-2-6-12-20)18-25(29)22-13-7-8-14-23(22)26(24(25)28)16-15-19-9-3-1-4-10-19/h1-14,29H,15-18H2/t25-/m1/s1
InChIKeyDBQVDTTYONMUPU-RUZDIDTESA-N
MW385.46 g/mol
LogP3.67
Rot. Bonds7

About (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one

(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one (PubChem CID 7280973) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
PubChem CID7280973
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
SMILESO=C(Cc1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO3/c27-21(17-20-11-5-2-6-12-20)18-25(29)22-13-7-8-14-23(22)26(24(25)28)16-15-19-9-3-1-4-10-19/h1-14,29H,15-18H2/t25-/m1/s1
InChIKeyDBQVDTTYONMUPU-RUZDIDTESA-N
XLogP3.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-(2-phenylethyl)indol-2-one
CID 2928474
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 3486846
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 1162536
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2908247
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 3696835

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one (CID 7280973) is (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one is O=C(Cc1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one?
The InChIKey is DBQVDTTYONMUPU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23NO3/c27-21(17-20-11-5-2-6-12-20)18-25(29)22-13-7-8-14-23(22)26(24(25)28)16-15-19-9-3-1-4-10-19/h1-14,29H,15-18H2/t25-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one?
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one has a molecular weight of 385.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 7280973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).