(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one

C24H22N2O3 — CID 7281333

IUPAC(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C24H22N2O3/c27-22(20-13-6-7-15-25-20)17-24(29)19-12-4-5-14-21(19)26(23(24)28)16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15,29H,8,11,16-17H2/t24-/m0/s1
InChIKeyDXEDIZNAAHBXGS-DEOSSOPVSA-N
MW386.45 g/mol
LogP3.52
Rot. Bonds7

About (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one

(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one (PubChem CID 7281333) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
PubChem CID7281333
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C24H22N2O3/c27-22(20-13-6-7-15-25-20)17-24(29)19-12-4-5-14-21(19)26(23(24)28)16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15,29H,8,11,16-17H2/t24-/m0/s1
InChIKeyDXEDIZNAAHBXGS-DEOSSOPVSA-N
XLogP3.52
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 40875161
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 41339060
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7270818
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7282038
(3S)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 40875194
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
(3S)-1-(azepan-1-ylmethyl)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 40771694
ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate
CID 2927588
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131259
(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 41339128
(3S)-5-bromo-1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7013959

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one (CID 7281333) is (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one is O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccn1.
What is the InChIKey of (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one?
The InChIKey is DXEDIZNAAHBXGS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-22(20-13-6-7-15-25-20)17-24(29)19-12-4-5-14-21(19)26(23(24)28)16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15,29H,8,11,16-17H2/t24-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one?
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one has a molecular weight of 386.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one is sourced from PubChem (CID 7281333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).